N2-(4-chlorophenyl)-N3-[4-(C-pyrrolidin-1-ylcarbonimidoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide

Systemtic Name: N2-(4-chlorophenyl)-N3-[4-(C-pyrrolidin-1-ylcarbonimidoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide Openeye Name: N2-(4-chlorophenyl)-N3-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide CAS Name: N2-(4-chlorophenyl)-N3-[4-[imino(1-pyrrolidinyl)methyl]phenyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide IUPAC Name: 2-N-(4-chlorophenyl)-3-N-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide Traditional Name: N-(4-chlorophenyl)-N'-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide Formula: C28H28ClN5O2 MolecularWeight: 502.00722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=N)C2=CC=C(C=C2)NC(=O)C3CC4=CC=CC=C4CN3C(=O)NC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCN(C1)C(=N)C2=CC=C(C=C2)NC(=O)C3CC4=CC=CC=C4CN3C(=O)NC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H28ClN5O2/c29-22-9-13-24(14-10-22)32-28(36)34-18-21-6-2-1-5-20(21)17-25(34)27(35)31-23-11-7-19(8-12-23)26(30)33-15-3-4-16-33/h1-2,5-14,25,30H,3-4,15-18H2,(H,31,35)(H,32,36)