5-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2,2-bis(phenylmethyl)acenaphthylen-1-one

Systemtic Name: 5-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2,2-bis(phenylmethyl)acenaphthylen-1-one Openeye Name: 2,2-dibenzyl-5-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]acenaphthylen-1-one CAS Name: 5-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2,2-bis(phenylmethyl)-1-acenaphthylenone IUPAC Name: 2,2-dibenzyl-5-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Traditional Name: 2,2-dibenzyl-5-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]acenaphthen-1-one Formula: C38H42N2O MolecularWeight: 542.75288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CCCN(CC2)C3=C4C=CC=C5C4=C(C=C3)C(C5=O)(CC6=CC=CC=C6)CC7=CC=CC=C7

Isomeric SMILES

C1CCC(CC1)CN2CCCN(CC2)C3=C4C=CC=C5C4=C(C=C3)C(C5=O)(CC6=CC=CC=C6)CC7=CC=CC=C7

InChI

InChI=1S/C38H42N2O/c41-37-33-19-10-18-32-35(40-23-11-22-39(24-25-40)28-31-16-8-3-9-17-31)21-20-34(36(32)33)38(37,26-29-12-4-1-5-13-29)27-30-14-6-2-7-15-30/h1-2,4-7,10,12-15,18-21,31H,3,8-9,11,16-17,22-28H2