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

Systemtic Name: 2,2-dipentyl-5-[4-(phenylmethyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Openeye Name: 5-(4-benzyl-1,4-diazepan-1-yl)-2,2-dipentyl-acenaphthylen-1-one CAS Name: 2,2-dipentyl-5-[4-(phenylmethyl)-1,4-diazepan-1-yl]-1-acenaphthylenone IUPAC Name: 5-(4-benzyl-1,4-diazepan-1-yl)-2,2-dipentylacenaphthylen-1-one Traditional Name: 2,2-diamyl-5-(4-benzyl-1,4-diazepan-1-yl)acenaphthen-1-one Formula: C34H44N2O MolecularWeight: 496.72596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CC5=CC=CC=C5)C=CC=C3C1=O)CCCCC

Isomeric SMILES

CCCCCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CC5=CC=CC=C5)C=CC=C3C1=O)CCCCC

InChI

InChI=1S/C34H44N2O/c1-3-5-10-20-34(21-11-6-4-2)30-18-19-31(28-16-12-17-29(32(28)30)33(34)37)36-23-13-22-35(24-25-36)26-27-14-8-7-9-15-27/h7-9,12,14-19H,3-6,10-11,13,20-26H2,1-2H3