2,2-dibutyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]acenaphthylen-1-one

Systemtic Name: 2,2-dibutyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Openeye Name: 2,2-dibutyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]acenaphthylen-1-one CAS Name: 2,2-dibutyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]-1-acenaphthylenone IUPAC Name: 2,2-dibutyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Traditional Name: 2,2-dibutyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]acenaphthen-1-one Formula: C34H44N2O MolecularWeight: 496.72596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CCCC5=CC=CC=C5)C=CC=C3C1=O)CCCC

Isomeric SMILES

CCCCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CCCC5=CC=CC=C5)C=CC=C3C1=O)CCCC

InChI

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