2-[4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazin-1-yl]-2-oxidanylidene-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazin-1-yl]-2-oxidanylidene-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazin-1-yl]-2-oxo-acetamide CAS Name: 2-[4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)-1-piperazinyl]-2-oxo-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazin-1-yl]-2-oxoacetamide Traditional Name: N-benzyl-2-[4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazino]-2-keto-acetamide Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCCC2=C(C(=N1)N3CCN(CC3)C(=O)C(=O)NCC4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)C1=C2CCCCC2=C(C(=N1)N3CCN(CC3)C(=O)C(=O)NCC4=CC=CC=C4)C#N

InChI

InChI=1S/C26H31N5O2/c1-18(2)23-21-11-7-6-10-20(21)22(16-27)24(29-23)30-12-14-31(15-13-30)26(33)25(32)28-17-19-8-4-3-5-9-19/h3-5,8-9,18H,6-7,10-15,17H2,1-2H3,(H,28,32)