4-methyl-1-[4-[3-methylbut-2-enyl-(4-phenylmethoxyphenyl)amino]piperidin-1-yl]-2-(1H-pyrrol-2-ylmethylamino)pentan-1-one

Systemtic Name: 4-methyl-1-[4-[3-methylbut-2-enyl-(4-phenylmethoxyphenyl)amino]piperidin-1-yl]-2-(1H-pyrrol-2-ylmethylamino)pentan-1-one Openeye Name: 1-[4-[4-benzyloxy-N-(3-methylbut-2-enyl)anilino]-1-piperidyl]-4-methyl-2-(1H-pyrrol-2-ylmethylamino)pentan-1-one CAS Name: 4-methyl-1-[4-[N-(3-methylbut-2-enyl)-4-phenylmethoxyanilino]-1-piperidinyl]-2-(1H-pyrrol-2-ylmethylamino)-1-pentanone IUPAC Name: 4-methyl-1-[4-[N-(3-methylbut-2-enyl)-4-phenylmethoxyanilino]piperidin-1-yl]-2-(1H-pyrrol-2-ylmethylamino)pentan-1-one Traditional Name: 1-[4-[4-benzoxy-N-(3-methylbut-2-enyl)anilino]piperidino]-4-methyl-2-(1H-pyrrol-2-ylmethylamino)pentan-1-one Formula: C34H46N4O2 MolecularWeight: 542.75464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCC(CC1)N(CC=C(C)C)C2=CC=C(C=C2)OCC3=CC=CC=C3)NCC4=CC=CN4

Isomeric SMILES

CC(C)CC(C(=O)N1CCC(CC1)N(CC=C(C)C)C2=CC=C(C=C2)OCC3=CC=CC=C3)NCC4=CC=CN4

InChI

InChI=1S/C34H46N4O2/c1-26(2)16-22-38(30-12-14-32(15-13-30)40-25-28-9-6-5-7-10-28)31-17-20-37(21-18-31)34(39)33(23-27(3)4)36-24-29-11-8-19-35-29/h5-16,19,27,31,33,35-36H,17-18,20-25H2,1-4H3