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

Systemtic Name: N-cyclopropyl-4-methyl-3-[7-[3-[methyl(propan-2-yl)amino]propoxy]-1-oxidanylidene-isoquinolin-2-yl]benzamide Openeye Name: N-cyclopropyl-3-[7-[3-[isopropyl(methyl)amino]propoxy]-1-oxo-2-isoquinolyl]-4-methyl-benzamide CAS Name: N-cyclopropyl-4-methyl-3-[7-[3-[methyl(propan-2-yl)amino]propoxy]-1-oxo-2-isoquinolinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[7-[3-[methyl(propan-2-yl)amino]propoxy]-1-oxoisoquinolin-2-yl]benzamide Traditional Name: N-cyclopropyl-3-[7-[3-[isopropyl(methyl)amino]propoxy]-1-keto-2-isoquinolyl]-4-methyl-benzamide Formula: C27H33N3O3 MolecularWeight: 447.56922

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O3/c1-18(2)29(4)13-5-15-33-23-11-8-20-12-14-30(27(32)24(20)17-23)25-16-21(7-6-19(25)3)26(31)28-22-9-10-22/h6-8,11-12,14,16-18,22H,5,9-10,13,15H2,1-4H3,(H,28,31)