7-[2-[(5-chloranyl-2-methoxy-4-methyl-phenyl)carbamoylamino]ethyl]-N-methyl-isoquinoline-3-carboxamide

Systemtic Name: 7-[2-[(5-chloranyl-2-methoxy-4-methyl-phenyl)carbamoylamino]ethyl]-N-methyl-isoquinoline-3-carboxamide Openeye Name: 7-[2-[(5-chloro-2-methoxy-4-methyl-phenyl)carbamoylamino]ethyl]-N-methyl-isoquinoline-3-carboxamide CAS Name: 7-[2-[[(5-chloro-2-methoxy-4-methylanilino)-oxomethyl]amino]ethyl]-N-methyl-3-isoquinolinecarboxamide IUPAC Name: 7-[2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]ethyl]-N-methylisoquinoline-3-carboxamide Traditional Name: 7-[2-[(5-chloro-2-methoxy-4-methyl-phenyl)carbamoylamino]ethyl]-N-methyl-isoquinoline-3-carboxamide Formula: C22H23ClN4O3 MolecularWeight: 426.89602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)NC(=O)NCCC2=CC3=CN=C(C=C3C=C2)C(=O)NC)OC

Isomeric SMILES

CC1=CC(=C(C=C1Cl)NC(=O)NCCC2=CC3=CN=C(C=C3C=C2)C(=O)NC)OC

InChI

InChI=1S/C22H23ClN4O3/c1-13-8-20(30-3)18(11-17(13)23)27-22(29)25-7-6-14-4-5-15-10-19(21(28)24-2)26-12-16(15)9-14/h4-5,8-12H,6-7H2,1-3H3,(H,24,28)(H2,25,27,29)