1-azanyl-N-[2-[(4-ethylphenyl)carbonylamino]-1-oxidanyl-2-phenyl-ethyl]isoquinoline-6-carboxamide

Systemtic Name: 1-azanyl-N-[2-[(4-ethylphenyl)carbonylamino]-1-oxidanyl-2-phenyl-ethyl]isoquinoline-6-carboxamide Openeye Name: 1-amino-N-[2-[(4-ethylbenzoyl)amino]-1-hydroxy-2-phenyl-ethyl]isoquinoline-6-carboxamide CAS Name: 1-amino-N-[2-[[(4-ethylphenyl)-oxomethyl]amino]-1-hydroxy-2-phenylethyl]-6-isoquinolinecarboxamide IUPAC Name: 1-amino-N-[2-[(4-ethylbenzoyl)amino]-1-hydroxy-2-phenylethyl]isoquinoline-6-carboxamide Traditional Name: 1-amino-N-[2-[(4-ethylbenzoyl)amino]-1-hydroxy-2-phenyl-ethyl]isoquinoline-6-carboxamide Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2)C(NC(=O)C3=CC4=C(C=C3)C(=NC=C4)N)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2)C(NC(=O)C3=CC4=C(C=C3)C(=NC=C4)N)O

InChI

InChI=1S/C27H26N4O3/c1-2-17-8-10-19(11-9-17)25(32)30-23(18-6-4-3-5-7-18)27(34)31-26(33)21-12-13-22-20(16-21)14-15-29-24(22)28/h3-16,23,27,34H,2H2,1H3,(H2,28,29)(H,30,32)(H,31,33)