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

Systemtic Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazin-1-yl]-2-oxidanylidene-N-(3-oxidanylpropyl)ethanamide Openeye Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazin-1-yl]-N-(3-hydroxypropyl)-2-oxo-acetamide CAS Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-1-piperazinyl]-N-(3-hydroxypropyl)-2-oxoacetamide IUPAC Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazin-1-yl]-N-(3-hydroxypropyl)-2-oxoacetamide Traditional Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazino]-N-(3-hydroxypropyl)-2-keto-acetamide Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C(=O)NCCCO)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C(=O)NCCCO)C4=CC=CC=C4

InChI

InChI=1S/C25H29N5O3/c26-17-21-19-9-4-5-10-20(19)22(18-7-2-1-3-8-18)28-23(21)29-12-14-30(15-13-29)25(33)24(32)27-11-6-16-31/h1-3,7-8,31H,4-6,9-16H2,(H,27,32)