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

Systemtic Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-(3-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxo-propyl]-2-(3-methoxyphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[3-[4-(2-fluorophenyl)-1-piperazinyl]-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[3-[4-(2-fluorophenyl)piperazino]-3-keto-propyl]-1-keto-2-(3-methoxyphenyl)isoquinoline-4-carboxamide Formula: C30H29FN4O4 MolecularWeight: 528.574063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCCC(=O)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

COC1=CC=CC(=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCCC(=O)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C30H29FN4O4/c1-39-22-8-6-7-21(19-22)35-20-25(23-9-2-3-10-24(23)30(35)38)29(37)32-14-13-28(36)34-17-15-33(16-18-34)27-12-5-4-11-26(27)31/h2-12,19-20H,13-18H2,1H3,(H,32,37)