7-chloranyl-N-methyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; 2-methylbuta-1,3-diene; hydrochloride

Systemtic Name: 7-chloranyl-N-methyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; 2-methylbuta-1,3-diene; hydrochloride Openeye Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; isoprene; hydrochloride CAS Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; 2-methylbuta-1,3-diene; hydrochloride IUPAC Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; 2-methylbuta-1,3-diene; hydrochloride Traditional Name: (7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)-methyl-amine; isoprene; hydrochloride Formula: C21H23Cl2N3O MolecularWeight: 404.33282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C=C.CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.Cl

Isomeric SMILES

CC(=C)C=C.CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C16H14ClN3O.C5H8.ClH/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15;1-4-5(2)3;/h2-9,21H,10H2,1H3;4H,1-2H2,3H3;1H