4-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-3-methoxy-isoindol-1-one

Systemtic Name: 4-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-3-methoxy-isoindol-1-one Openeye Name: 4-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-3-methoxy-isoindol-1-one CAS Name: 4-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-3-methoxy-1-isoindolone IUPAC Name: 4-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-3-methoxyisoindol-1-one Traditional Name: 4-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-3-methoxy-isoindol-1-one Formula: C21H15N3O2 MolecularWeight: 341.3627

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=O)C2=C1C(=CC=C2)CC#CC3=CC4=C(C=CC=NN4)C=C3

Isomeric SMILES

COC1=NC(=O)C2=C1C(=CC=C2)CC#CC3=CC4=C(C=CC=NN4)C=C3

InChI

InChI=1S/C21H15N3O2/c1-26-21-19-16(7-3-9-17(19)20(25)23-21)6-2-5-14-10-11-15-8-4-12-22-24-18(15)13-14/h3-4,7-13,24H,6H2,1H3