1-azido-3-[(7-chloranyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]propan-2-one

Systemtic Name: 1-azido-3-[(7-chloranyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]propan-2-one Openeye Name: 1-azido-3-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]propan-2-one CAS Name: 1-azido-3-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]-2-propanone IUPAC Name: 1-azido-3-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]propan-2-one Traditional Name: 1-azido-3-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]acetone Formula: C18H15ClN6O MolecularWeight: 366.8043

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)NCC(=O)CN=[N+]=[N-]

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)NCC(=O)CN=[N+]=[N-]

InChI

InChI=1S/C18H15ClN6O/c19-13-6-7-16-15(8-13)18(12-4-2-1-3-5-12)22-11-17(24-16)21-9-14(26)10-23-25-20/h1-8H,9-11H2,(H,21,24)