3-[4-(2-morpholin-4-yl-2-oxidanylidene-ethanoyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-[4-(2-morpholin-4-yl-2-oxidanylidene-ethanoyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[4-(2-morpholino-2-oxo-acetyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[4-[2-(4-morpholinyl)-1,2-dioxoethyl]-1-piperazinyl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[4-(2-keto-2-morpholino-acetyl)piperazino]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C(=O)N4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C(=O)N4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H29N5O3/c27-18-22-20-8-4-5-9-21(20)23(19-6-2-1-3-7-19)28-24(22)29-10-12-30(13-11-29)25(32)26(33)31-14-16-34-17-15-31/h1-3,6-7H,4-5,8-17H2