8-pyrrol-1-yl-4-[3-(1,2,3-triazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 8-pyrrol-1-yl-4-[3-(1,2,3-triazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 8-pyrrol-1-yl-4-[3-(triazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 8-(1-pyrrolyl)-4-[3-(1-triazolyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 8-pyrrol-1-yl-4-[3-(triazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 8-pyrrol-1-yl-4-[3-(triazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C21H16N6O MolecularWeight: 368.39134

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)N3C=CC=C3)NC1=O)C4=CC(=CC=C4)N5C=CN=N5

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)N3C=CC=C3)NC1=O)C4=CC(=CC=C4)N5C=CN=N5

InChI

InChI=1S/C21H16N6O/c28-21-14-19(15-4-3-5-17(12-15)27-11-8-22-25-27)23-18-7-6-16(13-20(18)24-21)26-9-1-2-10-26/h1-13H,14H2,(H,24,28)