N-[2-(dipropylamino)ethyl]-2-(4-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[2-(dipropylamino)ethyl]-2-(4-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[2-(dipropylamino)ethyl]-2-(4-methoxyphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[2-(dipropylamino)ethyl]-2-(4-methoxyphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[2-(dipropylamino)ethyl]-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[2-(dipropylamino)ethyl]-1-keto-2-(4-methoxyphenyl)isoquinoline-4-carboxamide Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CCNC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCN(CCC)CCNC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H31N3O3/c1-4-15-27(16-5-2)17-14-26-24(29)23-18-28(19-10-12-20(31-3)13-11-19)25(30)22-9-7-6-8-21(22)23/h6-13,18H,4-5,14-17H2,1-3H3,(H,26,29)