5-[4-(3-methylbutyl)-1,4-diazepan-1-yl]-2,2-bis(phenylmethyl)acenaphthylen-1-one

Systemtic Name: 5-[4-(3-methylbutyl)-1,4-diazepan-1-yl]-2,2-bis(phenylmethyl)acenaphthylen-1-one Openeye Name: 2,2-dibenzyl-5-(4-isopentyl-1,4-diazepan-1-yl)acenaphthylen-1-one CAS Name: 5-[4-(3-methylbutyl)-1,4-diazepan-1-yl]-2,2-bis(phenylmethyl)-1-acenaphthylenone IUPAC Name: 2,2-dibenzyl-5-[4-(3-methylbutyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Traditional Name: 2,2-dibenzyl-5-(4-isoamyl-1,4-diazepan-1-yl)acenaphthen-1-one Formula: C36H40N2O MolecularWeight: 516.7156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(C4=O)(CC5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

CC(C)CCN1CCCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(C4=O)(CC5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C36H40N2O/c1-27(2)19-22-37-20-10-21-38(24-23-37)33-18-17-32-34-30(33)15-9-16-31(34)35(39)36(32,25-28-11-5-3-6-12-28)26-29-13-7-4-8-14-29/h3-9,11-18,27H,10,19-26H2,1-2H3