5-(4-butyl-1,4-diazepan-1-yl)-2,2-bis(phenylmethyl)acenaphthylen-1-one

Systemtic Name: 5-(4-butyl-1,4-diazepan-1-yl)-2,2-bis(phenylmethyl)acenaphthylen-1-one Openeye Name: 2,2-dibenzyl-5-(4-butyl-1,4-diazepan-1-yl)acenaphthylen-1-one CAS Name: 5-(4-butyl-1,4-diazepan-1-yl)-2,2-bis(phenylmethyl)-1-acenaphthylenone IUPAC Name: 2,2-dibenzyl-5-(4-butyl-1,4-diazepan-1-yl)acenaphthylen-1-one Traditional Name: 2,2-dibenzyl-5-(4-butyl-1,4-diazepan-1-yl)acenaphthen-1-one Formula: C35H38N2O MolecularWeight: 502.68902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(C4=O)(CC5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

CCCCN1CCCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(C4=O)(CC5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C35H38N2O/c1-2-3-20-36-21-11-22-37(24-23-36)32-19-18-31-33-29(32)16-10-17-30(33)34(38)35(31,25-27-12-6-4-7-13-27)26-28-14-8-5-9-15-28/h4-10,12-19H,2-3,11,20-26H2,1H3