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

Systemtic Name: 2,2-diethyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Openeye Name: 2,2-diethyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]acenaphthylen-1-one CAS Name: 2,2-diethyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]-1-acenaphthylenone IUPAC Name: 2,2-diethyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Traditional Name: 2,2-diethyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]acenaphthen-1-one Formula: C30H36N2O MolecularWeight: 440.61964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CCCC5=CC=CC=C5)C=CC=C3C1=O)CC

Isomeric SMILES

CCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CCCC5=CC=CC=C5)C=CC=C3C1=O)CC

InChI

InChI=1S/C30H36N2O/c1-3-30(4-2)26-16-17-27(24-14-8-15-25(28(24)26)29(30)33)32-20-10-19-31(21-22-32)18-9-13-23-11-6-5-7-12-23/h5-8,11-12,14-17H,3-4,9-10,13,18-22H2,1-2H3