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

Systemtic Name: 2,2-diethyl-5-[4-(phenylmethyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Openeye Name: 5-(4-benzyl-1,4-diazepan-1-yl)-2,2-diethyl-acenaphthylen-1-one CAS Name: 2,2-diethyl-5-[4-(phenylmethyl)-1,4-diazepan-1-yl]-1-acenaphthylenone IUPAC Name: 5-(4-benzyl-1,4-diazepan-1-yl)-2,2-diethylacenaphthylen-1-one Traditional Name: 5-(4-benzyl-1,4-diazepan-1-yl)-2,2-diethyl-acenaphthen-1-one Formula: C28H32N2O MolecularWeight: 412.56648

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CC5=CC=CC=C5)C=CC=C3C1=O)CC

Isomeric SMILES

CCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CC5=CC=CC=C5)C=CC=C3C1=O)CC

InChI

InChI=1S/C28H32N2O/c1-3-28(4-2)24-14-15-25(22-12-8-13-23(26(22)24)27(28)31)30-17-9-16-29(18-19-30)20-21-10-6-5-7-11-21/h5-8,10-15H,3-4,9,16-20H2,1-2H3