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

Systemtic Name: N-cyclopropyl-3-[7-[3-(dimethylamino)propoxy]-1-oxidanylidene-isoquinolin-2-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[7-[3-(dimethylamino)propoxy]-1-oxo-2-isoquinolyl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[7-[3-(dimethylamino)propoxy]-1-oxo-2-isoquinolinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[7-[3-(dimethylamino)propoxy]-1-oxoisoquinolin-2-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[7-[3-(dimethylamino)propoxy]-1-keto-2-isoquinolyl]-4-methyl-benzamide Formula: C25H29N3O3 MolecularWeight: 419.51606

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3/c1-17-5-6-19(24(29)26-20-8-9-20)15-23(17)28-13-11-18-7-10-21(16-22(18)25(28)30)31-14-4-12-27(2)3/h5-7,10-11,13,15-16,20H,4,8-9,12,14H2,1-3H3,(H,26,29)