7-chloranyl-4-oxidanyl-5-phenyl-N-prop-2-enyl-3H-1,4-benzodiazepin-2-imine hydrochloride

Systemtic Name: 7-chloranyl-4-oxidanyl-5-phenyl-N-prop-2-enyl-3H-1,4-benzodiazepin-2-imine hydrochloride Openeye Name: N-allyl-7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-imine hydrochloride CAS Name: 7-chloro-4-hydroxy-5-phenyl-N-prop-2-enyl-3H-1,4-benzodiazepin-2-imine hydrochloride IUPAC Name: 7-chloro-4-hydroxy-5-phenyl-N-prop-2-enyl-3H-1,4-benzodiazepin-2-imine hydrochloride Traditional Name: allyl-(7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)amine hydrochloride Formula: C18H17Cl2N3O MolecularWeight: 362.25308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O.ClH/c1-2-10-20-17-12-22(23)18(13-6-4-3-5-7-13)15-11-14(19)8-9-16(15)21-17;/h2-9,11,23H,1,10,12H2;1H