4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]butan-1-one CAS Name: 4-[5-methyl-2-(2-pyridinyl)-1H-indol-3-yl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one Traditional Name: 1-(4-benzylpiperazino)-4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]butan-1-one Formula: C29H32N4O MolecularWeight: 452.59058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C29H32N4O/c1-22-13-14-26-25(20-22)24(29(31-26)27-11-5-6-15-30-27)10-7-12-28(34)33-18-16-32(17-19-33)21-23-8-3-2-4-9-23/h2-6,8-9,11,13-15,20,31H,7,10,12,16-19,21H2,1H3