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

Systemtic Name: 3-[4-[(3S)-3-azanylpyrrolidin-1-yl]carbonyl-2-(cyclopropylmethyl)-1-oxidanylidene-isoquinolin-6-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[4-[(3S)-3-aminopyrrolidine-1-carbonyl]-2-(cyclopropylmethyl)-1-oxo-6-isoquinolyl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[4-[[(3S)-3-amino-1-pyrrolidinyl]-oxomethyl]-2-(cyclopropylmethyl)-1-oxo-6-isoquinolinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[4-[(3S)-3-aminopyrrolidine-1-carbonyl]-2-(cyclopropylmethyl)-1-oxoisoquinolin-6-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[4-[(3S)-3-aminopyrrolidine-1-carbonyl]-2-(cyclopropylmethyl)-1-keto-6-isoquinolyl]-N-cyclopropyl-4-methyl-benzamide Formula: C29H32N4O3 MolecularWeight: 484.58938

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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(C5)N)CC6CC6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4C(=O)N5CC[C@@H](C5)N)CC6CC6

InChI

InChI=1S/C29H32N4O3/c1-17-2-5-20(27(34)31-22-7-8-22)13-24(17)19-6-9-23-25(12-19)26(29(36)32-11-10-21(30)15-32)16-33(28(23)35)14-18-3-4-18/h2,5-6,9,12-13,16,18,21-22H,3-4,7-8,10-11,14-15,30H2,1H3,(H,31,34)/t21-/m0/s1