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

Systemtic Name: 5-(4-phenethyl-1,4-diazepan-1-yl)-2,2-dipropyl-acenaphthylen-1-one Openeye Name: 5-(4-phenethyl-1,4-diazepan-1-yl)-2,2-dipropyl-acenaphthylen-1-one CAS Name: 5-(4-phenethyl-1,4-diazepan-1-yl)-2,2-dipropyl-1-acenaphthylenone IUPAC Name: 5-(4-phenethyl-1,4-diazepan-1-yl)-2,2-dipropylacenaphthylen-1-one Traditional Name: 5-(4-phenethyl-1,4-diazepan-1-yl)-2,2-dipropyl-acenaphthen-1-one Formula: C31H38N2O MolecularWeight: 454.64622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CCC5=CC=CC=C5)C=CC=C3C1=O)CCC

Isomeric SMILES

CCCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CCC5=CC=CC=C5)C=CC=C3C1=O)CCC

InChI

InChI=1S/C31H38N2O/c1-3-17-31(18-4-2)27-14-15-28(25-12-8-13-26(29(25)27)30(31)34)33-20-9-19-32(22-23-33)21-16-24-10-6-5-7-11-24/h5-8,10-15H,3-4,9,16-23H2,1-2H3