7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 3,7-dimethyloctyl pyridine-3-carboxylate; ethanol

Systemtic Name: 7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 3,7-dimethyloctyl pyridine-3-carboxylate; ethanol Openeye Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 3,7-dimethyloctyl pyridine-3-carboxylate; ethanol CAS Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; ethanol; 3-pyridinecarboxylic acid 3,7-dimethyloctyl ester IUPAC Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 3,7-dimethyloctyl pyridine-3-carboxylate; ethanol Traditional Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; ethanol; nicotinic acid 3,7-dimethyloctyl ester Formula: C34H44ClN3O4 MolecularWeight: 594.18386

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CC(C)CCCC(C)CCOC(=O)C1=CN=CC=C1.CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCO.CC(C)CCCC(C)CCOC(=O)C1=CN=CC=C1.CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C16H13ClN2O.C16H25NO2.C2H6O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11;1-13(2)6-4-7-14(3)9-11-19-16(18)15-8-5-10-17-12-15;1-2-3/h2-9H,10H2,1H3;5,8,10,12-14H,4,6-7,9,11H2,1-3H3;3H,2H2,1H3