3-(5-azanyl-4-bromanyl-1-phenyl-pyrazol-3-yl)-7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-(5-azanyl-4-bromanyl-1-phenyl-pyrazol-3-yl)-7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 3-(5-amino-4-bromo-1-phenyl-pyrazol-3-yl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-(5-amino-4-bromo-1-phenyl-3-pyrazolyl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-(5-amino-4-bromo-1-phenylpyrazol-3-yl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 3-(5-amino-4-bromo-1-phenyl-pyrazol-3-yl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C25H19BrClN5O MolecularWeight: 520.80826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)C3=NN(C(=C3Br)N)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)C3=NN(C(=C3Br)N)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H19BrClN5O/c1-31-19-13-12-16(27)14-18(19)21(15-8-4-2-5-9-15)29-23(25(31)33)22-20(26)24(28)32(30-22)17-10-6-3-7-11-17/h2-14,23H,28H2,1H3