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

Systemtic Name: 5-(4-phenethyl-1,4-diazepan-1-yl)-2,2-bis(phenylmethyl)acenaphthylen-1-one Openeye Name: 2,2-dibenzyl-5-(4-phenethyl-1,4-diazepan-1-yl)acenaphthylen-1-one CAS Name: 5-(4-phenethyl-1,4-diazepan-1-yl)-2,2-bis(phenylmethyl)-1-acenaphthylenone IUPAC Name: 2,2-dibenzyl-5-(4-phenethyl-1,4-diazepan-1-yl)acenaphthylen-1-one Traditional Name: 2,2-dibenzyl-5-(4-phenethyl-1,4-diazepan-1-yl)acenaphthen-1-one Formula: C39H38N2O MolecularWeight: 550.73182

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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)CCC7=CC=CC=C7

Isomeric SMILES

C1CN(CCN(C1)C2=C3C=CC=C4C3=C(C=C2)C(C4=O)(CC5=CC=CC=C5)CC6=CC=CC=C6)CCC7=CC=CC=C7

InChI

InChI=1S/C39H38N2O/c42-38-34-19-10-18-33-36(41-24-11-23-40(26-27-41)25-22-30-12-4-1-5-13-30)21-20-35(37(33)34)39(38,28-31-14-6-2-7-15-31)29-32-16-8-3-9-17-32/h1-10,12-21H,11,22-29H2