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

Systemtic Name: 2,2-dimethyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Openeye Name: 2,2-dimethyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]acenaphthylen-1-one CAS Name: 2,2-dimethyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]-1-acenaphthylenone IUPAC Name: 2,2-dimethyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Traditional Name: 2,2-dimethyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]acenaphthen-1-one Formula: C28H32N2O MolecularWeight: 412.56648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CCCC5=CC=CC=C5)C=CC=C3C1=O)C

Isomeric SMILES

CC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CCCC5=CC=CC=C5)C=CC=C3C1=O)C

InChI

InChI=1S/C28H32N2O/c1-28(2)24-14-15-25(22-12-6-13-23(26(22)24)27(28)31)30-18-8-17-29(19-20-30)16-7-11-21-9-4-3-5-10-21/h3-6,9-10,12-15H,7-8,11,16-20H2,1-2H3