2,2-dimethyl-5-(4-phenethyl-1,4-diazepan-1-yl)acenaphthylen-1-one

Systemtic Name: 2,2-dimethyl-5-(4-phenethyl-1,4-diazepan-1-yl)acenaphthylen-1-one Openeye Name: 2,2-dimethyl-5-(4-phenethyl-1,4-diazepan-1-yl)acenaphthylen-1-one CAS Name: 2,2-dimethyl-5-(4-phenethyl-1,4-diazepan-1-yl)-1-acenaphthylenone IUPAC Name: 2,2-dimethyl-5-(4-phenethyl-1,4-diazepan-1-yl)acenaphthylen-1-one Traditional Name: 2,2-dimethyl-5-(4-phenethyl-1,4-diazepan-1-yl)acenaphthen-1-one Formula: C27H30N2O MolecularWeight: 398.5399

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CCC5=CC=CC=C5)C=CC=C3C1=O)C

Isomeric SMILES

CC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CCC5=CC=CC=C5)C=CC=C3C1=O)C

InChI

InChI=1S/C27H30N2O/c1-27(2)23-12-13-24(21-10-6-11-22(25(21)23)26(27)30)29-16-7-15-28(18-19-29)17-14-20-8-4-3-5-9-20/h3-6,8-13H,7,14-19H2,1-2H3