[2-(3-methylpiperazin-1-yl)pyridin-3-yl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [2-(3-methylpiperazin-1-yl)pyridin-3-yl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[2-(3-methylpiperazin-1-yl)-3-pyridyl]methanone CAS Name: [2-(3-methyl-1-piperazinyl)-3-pyridinyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-[2-(3-methylpiperazin-1-yl)pyridin-3-yl]methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-[2-(3-methylpiperazino)-3-pyridyl]methanone Formula: C23H31N5O MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=CC=N2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1)C2=C(C=CC=N2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H31N5O/c1-19-17-28(14-11-24-19)22-21(9-5-10-25-22)23(29)27-13-6-12-26(15-16-27)18-20-7-3-2-4-8-20/h2-5,7-10,19,24H,6,11-18H2,1H3