4-phenyl-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one hydrate

Systemtic Name: 4-phenyl-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one hydrate Openeye Name: 4-phenyl-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one hydrate CAS Name: 4-phenyl-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one hydrate IUPAC Name: 4-phenyl-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one hydrate Traditional Name: 4-phenyl-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one hydrate Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(NC3=CC=CC=C3N2)C4=CC=CC=C4)C(=O)N1.O

Isomeric SMILES

C1C2=C(C(NC3=CC=CC=C3N2)C4=CC=CC=C4)C(=O)N1.O

InChI

InChI=1S/C17H15N3O.H2O/c21-17-15-14(10-18-17)19-12-8-4-5-9-13(12)20-16(15)11-6-2-1-3-7-11;/h1-9,16,19-20H,10H2,(H,18,21);1H2