2-(3-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxidanylidene-propyl]-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-(3-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxidanylidene-propyl]-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(3-methoxyphenyl)-N-[3-(3-methyl-1-piperidyl)-3-oxo-propyl]-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(3-methoxyphenyl)-N-[3-(3-methyl-1-piperidinyl)-3-oxopropyl]-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(3-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1-oxoisoquinoline-4-carboxamide Traditional Name: 1-keto-N-[3-keto-3-(3-methylpiperidino)propyl]-2-(3-methoxyphenyl)isoquinoline-4-carboxamide Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CCNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1CCCN(C1)C(=O)CCNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)OC

InChI

InChI=1S/C26H29N3O4/c1-18-7-6-14-28(16-18)24(30)12-13-27-25(31)23-17-29(19-8-5-9-20(15-19)33-2)26(32)22-11-4-3-10-21(22)23/h3-5,8-11,15,17-18H,6-7,12-14,16H2,1-2H3,(H,27,31)