N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxamide dihydrochloride

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxamide dihydrochloride Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-isopropylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide dihydrochloride CAS Name: N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[(4-propan-2-yl-1-piperazinyl)methyl]-4-quinolinecarboxamide dihydrochloride IUPAC Name: N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxamide dihydrochloride Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-isopropylpiperazino)methyl]-2-phenyl-cinchoninamide dihydrochloride Formula: C32H44Cl2N4O MolecularWeight: 571.62396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)NC(C)C5CCCCC5.Cl.Cl

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C(C)C.Cl.Cl

InChI

InChI=1S/C32H42N4O.2ClH/c1-23(2)36-20-18-35(19-21-36)22-28-30(32(37)33-24(3)25-12-6-4-7-13-25)27-16-10-11-17-29(27)34-31(28)26-14-8-5-9-15-26;;/h5,8-11,14-17,23-25H,4,6-7,12-13,18-22H2,1-3H3,(H,33,37);2*1H/t24-;;/m0../s1