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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C3C=CC=C4C3=C(C=C2)C(C4=O)(CC5=CC=CC=C5)CC6=CC=CC=C6)CC7CC7

Isomeric SMILES

C1CN(CCN(C1)C2=C3C=CC=C4C3=C(C=C2)C(C4=O)(CC5=CC=CC=C5)CC6=CC=CC=C6)CC7CC7

InChI

InChI=1S/C35H36N2O/c38-34-30-14-7-13-29-32(37-20-8-19-36(21-22-37)25-28-15-16-28)18-17-31(33(29)30)35(34,23-26-9-3-1-4-10-26)24-27-11-5-2-6-12-27/h1-7,9-14,17-18,28H,8,15-16,19-25H2