N-[1-[(4-ethylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: N-[1-[(4-ethylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: N-[1-benzyl-2-(4-ethylanilino)-2-oxo-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: N-[1-(4-ethylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: N-[1-(4-ethylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: N-[1-benzyl-2-(4-ethylanilino)-2-keto-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CC4=CC=CC=C4CN3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CC4=CC=CC=C4CN3

InChI

InChI=1S/C27H29N3O2/c1-2-19-12-14-23(15-13-19)29-27(32)25(16-20-8-4-3-5-9-20)30-26(31)24-17-21-10-6-7-11-22(21)18-28-24/h3-15,24-25,28H,2,16-18H2,1H3,(H,29,32)(H,30,31)