3-[4-(4-azanylpiperidin-1-yl)carbonyl-2-(cyclopropylmethyl)-1-oxidanylidene-isoquinolin-6-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[4-(4-azanylpiperidin-1-yl)carbonyl-2-(cyclopropylmethyl)-1-oxidanylidene-isoquinolin-6-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[4-(4-aminopiperidine-1-carbonyl)-2-(cyclopropylmethyl)-1-oxo-6-isoquinolyl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[4-[(4-amino-1-piperidinyl)-oxomethyl]-2-(cyclopropylmethyl)-1-oxo-6-isoquinolinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[4-(4-aminopiperidine-1-carbonyl)-2-(cyclopropylmethyl)-1-oxoisoquinolin-6-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[4-(4-aminopiperidine-1-carbonyl)-2-(cyclopropylmethyl)-1-keto-6-isoquinolyl]-N-cyclopropyl-4-methyl-benzamide Formula: C30H34N4O3 MolecularWeight: 498.61596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4C(=O)N5CCC(CC5)N)CC6CC6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4C(=O)N5CCC(CC5)N)CC6CC6

InChI

InChI=1S/C30H34N4O3/c1-18-2-5-21(28(35)32-23-7-8-23)15-25(18)20-6-9-24-26(14-20)27(17-34(29(24)36)16-19-3-4-19)30(37)33-12-10-22(31)11-13-33/h2,5-6,9,14-15,17,19,22-23H,3-4,7-8,10-13,16,31H2,1H3,(H,32,35)