1-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-3H-indol-2-one hydrate

Systemtic Name: 1-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-3H-indol-2-one hydrate Openeye Name: 1-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]indolin-2-one hydrate CAS Name: 1-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-3H-indol-2-one hydrate IUPAC Name: 1-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-3H-indol-2-one hydrate Traditional Name: 1-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]oxindole hydrate Formula: C20H17N3O2 MolecularWeight: 331.36788

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N(C1=O)CC#CC3=CC4=C(C=CC=NN4)C=C3.O

Isomeric SMILES

C1C2=CC=CC=C2N(C1=O)CC#CC3=CC4=C(C=CC=NN4)C=C3.O

InChI

InChI=1S/C20H15N3O.H2O/c24-20-14-17-6-1-2-8-19(17)23(20)12-4-5-15-9-10-16-7-3-11-21-22-18(16)13-15;/h1-3,6-11,13,22H,12,14H2;1H2