4-(3-imidazol-1-ylphenyl)-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 4-(3-imidazol-1-ylphenyl)-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-(3-imidazol-1-ylphenyl)-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[3-(1-imidazolyl)phenyl]-8-(1-pyrrolyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-(3-imidazol-1-ylphenyl)-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-(3-imidazol-1-ylphenyl)-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C22H17N5O MolecularWeight: 367.40328

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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=C5

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)N3C=CC=C3)NC1=O)C4=CC(=CC=C4)N5C=CN=C5

InChI

InChI=1S/C22H17N5O/c28-22-14-20(16-4-3-5-17(12-16)27-11-8-23-15-27)24-19-7-6-18(13-21(19)25-22)26-9-1-2-10-26/h1-13,15H,14H2,(H,25,28)