1-azanyl-N-[(1R)-2-oxidanylidene-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]isoquinoline-7-carboxamide

Systemtic Name: 1-azanyl-N-[(1R)-2-oxidanylidene-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]isoquinoline-7-carboxamide Openeye Name: 1-amino-N-[(1R)-2-oxo-1-phenyl-2-[4-(4-pyridyl)piperazin-1-yl]ethyl]isoquinoline-7-carboxamide CAS Name: 1-amino-N-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]-7-isoquinolinecarboxamide IUPAC Name: 1-amino-N-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]isoquinoline-7-carboxamide Traditional Name: 1-amino-N-[(1R)-2-keto-1-phenyl-2-[4-(4-pyridyl)piperazino]ethyl]isoquinoline-7-carboxamide Formula: C27H26N6O2 MolecularWeight: 466.53434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(=O)C(C3=CC=CC=C3)NC(=O)C4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=O)[C@@H](C3=CC=CC=C3)NC(=O)C4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C27H26N6O2/c28-25-23-18-21(7-6-19(23)8-13-30-25)26(34)31-24(20-4-2-1-3-5-20)27(35)33-16-14-32(15-17-33)22-9-11-29-12-10-22/h1-13,18,24H,14-17H2,(H2,28,30)(H,31,34)/t24-/m1/s1