7-chloranyl-1-methyl-3-(naphthalen-2-ylmethyl)-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one; ethanenitrile

Systemtic Name: 7-chloranyl-1-methyl-3-(naphthalen-2-ylmethyl)-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one; ethanenitrile Openeye Name: acetonitrile; 7-chloro-1-methyl-3-(2-naphthylmethyl)-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one CAS Name: acetonitrile; 7-chloro-1-methyl-3-(2-naphthalenylmethyl)-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-3,4-dihydro-1,4-benzodiazepin-2-one IUPAC Name: acetonitrile; 7-chloro-1-methyl-3-(naphthalen-2-ylmethyl)-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one Traditional Name: acetonitrile; 7-chloro-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-1-methyl-3-(2-naphthylmethyl)-3,4-dihydro-1,4-benzodiazepin-2-one Formula: C29H24ClN3O2 MolecularWeight: 481.97276

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CN1C2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)NC(C1=O)CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC#N.CN1C2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)NC(C1=O)CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H21ClN2O2.C2H3N/c1-30-25-13-10-21(28)16-23(25)26(19-8-11-22(31)12-9-19)29-24(27(30)32)15-17-6-7-18-4-2-3-5-20(18)14-17;1-2-3/h2-14,16,24,29H,15H2,1H3;1H3