N-cyclopropyl-4-methyl-3-[7-[3-[methyl(prop-2-ynyl)amino]propoxy]-1-oxidanylidene-isoquinolin-2-yl]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[7-[3-[methyl(prop-2-ynyl)amino]propoxy]-1-oxidanylidene-isoquinolin-2-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[7-[3-[methyl(prop-2-ynyl)amino]propoxy]-1-oxo-2-isoquinolyl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[7-[3-[methyl(prop-2-ynyl)amino]propoxy]-1-oxo-2-isoquinolinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[7-[3-[methyl(prop-2-ynyl)amino]propoxy]-1-oxoisoquinolin-2-yl]benzamide Traditional Name: N-cyclopropyl-3-[1-keto-7-[3-[methyl(propargyl)amino]propoxy]-2-isoquinolyl]-4-methyl-benzamide Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCCN(C)CC#C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCCN(C)CC#C

InChI

InChI=1S/C27H29N3O3/c1-4-13-29(3)14-5-16-33-23-11-8-20-12-15-30(27(32)24(20)18-23)25-17-21(7-6-19(25)2)26(31)28-22-9-10-22/h1,6-8,11-12,15,17-18,22H,5,9-10,13-14,16H2,2-3H3,(H,28,31)