[1-(2-methylphenyl)carbonylpiperidin-4-yl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [1-(2-methylphenyl)carbonylpiperidin-4-yl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[1-(2-methylbenzoyl)-4-piperidyl]methanone CAS Name: [1-[(2-methylphenyl)-oxomethyl]-4-piperidinyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(1-o-toluoyl-4-piperidyl)methanone Formula: C26H33N3O2 MolecularWeight: 419.55912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O2/c1-21-8-5-6-11-24(21)26(31)29-16-12-23(13-17-29)25(30)28-15-7-14-27(18-19-28)20-22-9-3-2-4-10-22/h2-6,8-11,23H,7,12-20H2,1H3