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

Systemtic Name: 2,2-dipentyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Openeye Name: 2,2-dipentyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]acenaphthylen-1-one CAS Name: 2,2-dipentyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]-1-acenaphthylenone IUPAC Name: 2,2-dipentyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Traditional Name: 2,2-diamyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]acenaphthen-1-one Formula: C36H48N2O MolecularWeight: 524.77912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CCCC5=CC=CC=C5)C=CC=C3C1=O)CCCCC

Isomeric SMILES

CCCCCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CCCC5=CC=CC=C5)C=CC=C3C1=O)CCCCC

InChI

InChI=1S/C36H48N2O/c1-3-5-10-22-36(23-11-6-4-2)32-20-21-33(30-18-12-19-31(34(30)32)35(36)39)38-26-14-25-37(27-28-38)24-13-17-29-15-8-7-9-16-29/h7-9,12,15-16,18-21H,3-6,10-11,13-14,17,22-28H2,1-2H3