N-(3-azanylpropyl)-N-[1-[6-chloranyl-1-oxidanylidene-2-(phenylmethyl)isoquinolin-3-yl]-2-methyl-propyl]-4-methyl-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[1-[6-chloranyl-1-oxidanylidene-2-(phenylmethyl)isoquinolin-3-yl]-2-methyl-propyl]-4-methyl-benzamide Openeye Name: N-(3-aminopropyl)-N-[1-(2-benzyl-6-chloro-1-oxo-3-isoquinolyl)-2-methyl-propyl]-4-methyl-benzamide CAS Name: N-(3-aminopropyl)-N-[1-[6-chloro-1-oxo-2-(phenylmethyl)-3-isoquinolinyl]-2-methylpropyl]-4-methylbenzamide IUPAC Name: N-(3-aminopropyl)-N-[1-(2-benzyl-6-chloro-1-oxoisoquinolin-3-yl)-2-methylpropyl]-4-methylbenzamide Traditional Name: N-(3-aminopropyl)-N-[1-(2-benzyl-6-chloro-1-keto-3-isoquinolyl)-2-methyl-propyl]-4-methyl-benzamide Formula: C31H34ClN3O2 MolecularWeight: 516.07356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=CC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=CC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C31H34ClN3O2/c1-21(2)29(34(17-7-16-33)30(36)24-12-10-22(3)11-13-24)28-19-25-18-26(32)14-15-27(25)31(37)35(28)20-23-8-5-4-6-9-23/h4-6,8-15,18-19,21,29H,7,16-17,20,33H2,1-3H3