N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide

Systemtic Name: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-[3-(3,5-dimethyl-1-piperidyl)propyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide CAS Name: N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-1-(2-methoxyanilino)-4-isoquinolinecarboxamide IUPAC Name: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide Traditional Name: N-[3-(3,5-dimethylpiperidino)propyl]-1-(o-anisidino)isoquinoline-4-carboxamide Formula: C27H34N4O2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CCCNC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC=CC=C4OC)C

Isomeric SMILES

CC1CC(CN(C1)CCCNC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC=CC=C4OC)C

InChI

InChI=1S/C27H34N4O2/c1-19-15-20(2)18-31(17-19)14-8-13-28-27(32)23-16-29-26(22-10-5-4-9-21(22)23)30-24-11-6-7-12-25(24)33-3/h4-7,9-12,16,19-20H,8,13-15,17-18H2,1-3H3,(H,28,32)(H,29,30)