2-[4-[[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-(2-cyanopropan-2-yl)-2-ethoxy-phenyl]-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-1-yl]-N-methyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-(2-cyanopropan-2-yl)-2-ethoxy-phenyl]-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-1-yl]-N-methyl-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-(1-cyano-1-methyl-ethyl)-2-ethoxy-phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-isopropyl-N-methyl-acetamide CAS Name: 2-[4-[[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-(2-cyanopropan-2-yl)-2-ethoxyphenyl]-4,5-dihydroimidazol-1-yl]-oxomethyl]-1-piperazinyl]-N-methyl-N-propan-2-ylacetamide IUPAC Name: 2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-(2-cyanopropan-2-yl)-2-ethoxyphenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide Traditional Name: 2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-(1-cyano-1-methyl-ethyl)-2-ethoxy-phenyl]-2-imidazoline-1-carbonyl]piperazino]-N-isopropyl-N-methyl-acetamide Formula: C38H44Cl2N6O3 MolecularWeight: 703.70036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C)(C)C#N)C2=NC(C(N2C(=O)N3CCN(CC3)CC(=O)N(C)C(C)C)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C)(C)C#N)C2=N[C@H]([C@H](N2C(=O)N3CCN(CC3)CC(=O)N(C)C(C)C)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C38H44Cl2N6O3/c1-7-49-32-22-28(38(4,5)24-41)12-17-31(32)36-42-34(26-8-13-29(39)14-9-26)35(27-10-15-30(40)16-11-27)46(36)37(48)45-20-18-44(19-21-45)23-33(47)43(6)25(2)3/h8-17,22,25,34-35H,7,18-21,23H2,1-6H3/t34-,35+/m0/s1