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

Systemtic Name: 2,2-dibutyl-5-[4-(phenylmethyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Openeye Name: 5-(4-benzyl-1,4-diazepan-1-yl)-2,2-dibutyl-acenaphthylen-1-one CAS Name: 2,2-dibutyl-5-[4-(phenylmethyl)-1,4-diazepan-1-yl]-1-acenaphthylenone IUPAC Name: 5-(4-benzyl-1,4-diazepan-1-yl)-2,2-dibutylacenaphthylen-1-one Traditional Name: 5-(4-benzyl-1,4-diazepan-1-yl)-2,2-dibutyl-acenaphthen-1-one Formula: C32H40N2O MolecularWeight: 468.6728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CC5=CC=CC=C5)C=CC=C3C1=O)CCCC

Isomeric SMILES

CCCCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CC5=CC=CC=C5)C=CC=C3C1=O)CCCC

InChI

InChI=1S/C32H40N2O/c1-3-5-18-32(19-6-4-2)28-16-17-29(26-14-10-15-27(30(26)28)31(32)35)34-21-11-20-33(22-23-34)24-25-12-8-7-9-13-25/h7-10,12-17H,3-6,11,18-24H2,1-2H3