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

Systemtic Name: N-cyclopropyl-3-[2-(cyclopropylmethyl)-4-[4-(2-dimethylaminoethyl)piperazin-1-yl]carbonyl-1-oxidanylidene-isoquinolin-6-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[2-(cyclopropylmethyl)-4-[4-(2-dimethylaminoethyl)piperazine-1-carbonyl]-1-oxo-6-isoquinolyl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[2-(cyclopropylmethyl)-4-[[4-(2-dimethylaminoethyl)-1-piperazinyl]-oxomethyl]-1-oxo-6-isoquinolinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[2-(cyclopropylmethyl)-4-[4-(2-dimethylaminoethyl)piperazine-1-carbonyl]-1-oxoisoquinolin-6-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[2-(cyclopropylmethyl)-4-[4-(2-dimethylaminoethyl)piperazine-1-carbonyl]-1-keto-6-isoquinolyl]-4-methyl-benzamide Formula: C33H41N5O3 MolecularWeight: 555.71034

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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)N5CCN(CC5)CCN(C)C)CC6CC6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4C(=O)N5CCN(CC5)CCN(C)C)CC6CC6

InChI

InChI=1S/C33H41N5O3/c1-22-4-7-25(31(39)34-26-9-10-26)19-28(22)24-8-11-27-29(18-24)30(21-38(32(27)40)20-23-5-6-23)33(41)37-16-14-36(15-17-37)13-12-35(2)3/h4,7-8,11,18-19,21,23,26H,5-6,9-10,12-17,20H2,1-3H3,(H,34,39)