4-[(2,3-dimethyl-1-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]isoquinolin-8-yl)-prop-2-ynyl-amino]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 4-[(2,3-dimethyl-1-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]isoquinolin-8-yl)-prop-2-ynyl-amino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-[(2,3-dimethyl-1-oxo-7,8-dihydro-6H-cyclopenta[g]isoquinolin-8-yl)-prop-2-ynyl-amino]-N-(3-pyridylmethyl)benzamide CAS Name: 4-[(2,3-dimethyl-1-oxo-7,8-dihydro-6H-cyclopenta[g]isoquinolin-8-yl)-prop-2-ynylamino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[(2,3-dimethyl-1-oxo-7,8-dihydro-6H-cyclopenta[g]isoquinolin-8-yl)-prop-2-ynylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-[(1-keto-2,3-dimethyl-7,8-dihydro-6H-cyclopent[g]isoquinolin-8-yl)-propargyl-amino]-N-(3-pyridylmethyl)benzamide Formula: C30H28N4O2 MolecularWeight: 476.56892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC3=C(C=C2C(=O)N1C)C(CC3)N(CC#C)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

CC1=CC2=CC3=C(C=C2C(=O)N1C)C(CC3)N(CC#C)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C30H28N4O2/c1-4-14-34(25-10-7-22(8-11-25)29(35)32-19-21-6-5-13-31-18-21)28-12-9-23-16-24-15-20(2)33(3)30(36)27(24)17-26(23)28/h1,5-8,10-11,13,15-18,28H,9,12,14,19H2,2-3H3,(H,32,35)