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

Systemtic Name: 2,2-dimethyl-5-[4-(phenylmethyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Openeye Name: 5-(4-benzyl-1,4-diazepan-1-yl)-2,2-dimethyl-acenaphthylen-1-one CAS Name: 2,2-dimethyl-5-[4-(phenylmethyl)-1,4-diazepan-1-yl]-1-acenaphthylenone IUPAC Name: 5-(4-benzyl-1,4-diazepan-1-yl)-2,2-dimethylacenaphthylen-1-one Traditional Name: 5-(4-benzyl-1,4-diazepan-1-yl)-2,2-dimethyl-acenaphthen-1-one Formula: C26H28N2O MolecularWeight: 384.51332

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CC5=CC=CC=C5)C=CC=C3C1=O)C

Isomeric SMILES

CC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CC5=CC=CC=C5)C=CC=C3C1=O)C

InChI

InChI=1S/C26H28N2O/c1-26(2)22-12-13-23(20-10-6-11-21(24(20)22)25(26)29)28-15-7-14-27(16-17-28)18-19-8-4-3-5-9-19/h3-6,8-13H,7,14-18H2,1-2H3