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

Systemtic Name: 5-[4-(2-methylprop-2-enyl)-1,4-diazepan-1-yl]-2,2-bis(phenylmethyl)acenaphthylen-1-one Openeye Name: 2,2-dibenzyl-5-[4-(2-methylallyl)-1,4-diazepan-1-yl]acenaphthylen-1-one CAS Name: 5-[4-(2-methylprop-2-enyl)-1,4-diazepan-1-yl]-2,2-bis(phenylmethyl)-1-acenaphthylenone IUPAC Name: 2,2-dibenzyl-5-[4-(2-methylprop-2-enyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Traditional Name: 2,2-dibenzyl-5-[4-(2-methylallyl)-1,4-diazepan-1-yl]acenaphthen-1-one Formula: C35H36N2O MolecularWeight: 500.67314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1CCCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(C4=O)(CC5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

CC(=C)CN1CCCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(C4=O)(CC5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C35H36N2O/c1-26(2)25-36-19-10-20-37(22-21-36)32-18-17-31-33-29(32)15-9-16-30(33)34(38)35(31,23-27-11-5-3-6-12-27)24-28-13-7-4-8-14-28/h3-9,11-18H,1,10,19-25H2,2H3