ethanedioic acid; 4-methyl-1-naphthalen-2-yl-3,5-dihydro-2H-1,4-benzodiazepine-8-carbonitrile

Systemtic Name: ethanedioic acid; 4-methyl-1-naphthalen-2-yl-3,5-dihydro-2H-1,4-benzodiazepine-8-carbonitrile Openeye Name: 4-methyl-1-(2-naphthyl)-3,5-dihydro-2H-1,4-benzodiazepine-8-carbonitrile; oxalic acid CAS Name: 4-methyl-1-(2-naphthalenyl)-3,5-dihydro-2H-1,4-benzodiazepine-8-carbonitrile; oxalic acid IUPAC Name: 4-methyl-1-naphthalen-2-yl-3,5-dihydro-2H-1,4-benzodiazepine-8-carbonitrile; oxalic acid Traditional Name: 4-methyl-1-(2-naphthyl)-3,5-dihydro-2H-1,4-benzodiazepine-8-carbonitrile; oxalic acid Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C2=C(C1)C=CC(=C2)C#N)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(C2=C(C1)C=CC(=C2)C#N)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H19N3.C2H2O4/c1-23-10-11-24(21-12-16(14-22)6-7-19(21)15-23)20-9-8-17-4-2-3-5-18(17)13-20;3-1(4)2(5)6/h2-9,12-13H,10-11,15H2,1H3;(H,3,4)(H,5,6)