2,2-dipentyl-5-(4-propan-2-yl-1,4-diazepan-1-yl)acenaphthylen-1-one

Systemtic Name: 2,2-dipentyl-5-(4-propan-2-yl-1,4-diazepan-1-yl)acenaphthylen-1-one Openeye Name: 5-(4-isopropyl-1,4-diazepan-1-yl)-2,2-dipentyl-acenaphthylen-1-one CAS Name: 2,2-dipentyl-5-(4-propan-2-yl-1,4-diazepan-1-yl)-1-acenaphthylenone IUPAC Name: 2,2-dipentyl-5-(4-propan-2-yl-1,4-diazepan-1-yl)acenaphthylen-1-one Traditional Name: 2,2-diamyl-5-(4-isopropyl-1,4-diazepan-1-yl)acenaphthen-1-one Formula: C30H44N2O MolecularWeight: 448.68316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44N2O/c1-5-7-9-17-30(18-10-8-6-2)26-15-16-27(24-13-11-14-25(28(24)26)29(30)33)32-20-12-19-31(21-22-32)23(3)4/h11,13-16,23H,5-10,12,17-22H2,1-4H3