6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-(cyclopropylmethyl)-1-oxidanylidene-N-(3-pyrrolidin-1-ylpropyl)isoquinoline-4-carboxamide

Systemtic Name: 6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-(cyclopropylmethyl)-1-oxidanylidene-N-(3-pyrrolidin-1-ylpropyl)isoquinoline-4-carboxamide Openeye Name: 6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-(cyclopropylmethyl)-1-oxo-N-(3-pyrrolidin-1-ylpropyl)isoquinoline-4-carboxamide CAS Name: 6-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-2-(cyclopropylmethyl)-1-oxo-N-[3-(1-pyrrolidinyl)propyl]-4-isoquinolinecarboxamide IUPAC Name: 6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-(cyclopropylmethyl)-1-oxo-N-(3-pyrrolidin-1-ylpropyl)isoquinoline-4-carboxamide Traditional Name: 6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-(cyclopropylmethyl)-1-keto-N-(3-pyrrolidinopropyl)isoquinoline-4-carboxamide Formula: C32H38N4O3 MolecularWeight: 526.66912

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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)NCCCN5CCCC5)CC6CC6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4C(=O)NCCCN5CCCC5)CC6CC6

InChI

InChI=1S/C32H38N4O3/c1-21-5-8-24(30(37)34-25-10-11-25)18-27(21)23-9-12-26-28(17-23)29(20-36(32(26)39)19-22-6-7-22)31(38)33-13-4-16-35-14-2-3-15-35/h5,8-9,12,17-18,20,22,25H,2-4,6-7,10-11,13-16,19H2,1H3,(H,33,38)(H,34,37)