2-(4-methoxyphenyl)-N-(3-methylbutyl)-1-oxidanylidene-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 2-(4-methoxyphenyl)-N-(3-methylbutyl)-1-oxidanylidene-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-isopentyl-2-(4-methoxyphenyl)-1-oxo-3-(3-pyridyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-(4-methoxyphenyl)-N-(3-methylbutyl)-1-oxo-3-(3-pyridinyl)-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-(4-methoxyphenyl)-N-(3-methylbutyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-isoamyl-1-keto-2-(4-methoxyphenyl)-3-(3-pyridyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)C3=CC=C(C=C3)OC)C4=CN=CC=C4

Isomeric SMILES

CC(C)CCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)C3=CC=C(C=C3)OC)C4=CN=CC=C4

InChI

InChI=1S/C27H29N3O3/c1-18(2)14-16-29-26(31)24-22-8-4-5-9-23(22)27(32)30(20-10-12-21(33-3)13-11-20)25(24)19-7-6-15-28-17-19/h4-13,15,17-18,24-25H,14,16H2,1-3H3,(H,29,31)