5-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2,2-dipropyl-acenaphthylen-1-one

Systemtic Name: 5-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2,2-dipropyl-acenaphthylen-1-one Openeye Name: 5-(4-benzyl-1,4-diazepan-1-yl)-2,2-dipropyl-acenaphthylen-1-one CAS Name: 5-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2,2-dipropyl-1-acenaphthylenone IUPAC Name: 5-(4-benzyl-1,4-diazepan-1-yl)-2,2-dipropylacenaphthylen-1-one Traditional Name: 5-(4-benzyl-1,4-diazepan-1-yl)-2,2-dipropyl-acenaphthen-1-one Formula: C30H36N2O MolecularWeight: 440.61964

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CC5=CC=CC=C5)C=CC=C3C1=O)CCC

Isomeric SMILES

CCCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CC5=CC=CC=C5)C=CC=C3C1=O)CCC

InChI

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