2-(2-methylpyridin-3-yl)-2-[4-(3-phenyl-3-phenylazanyl-propanoyl)piperazin-1-yl]ethanenitrile

Systemtic Name: 2-(2-methylpyridin-3-yl)-2-[4-(3-phenyl-3-phenylazanyl-propanoyl)piperazin-1-yl]ethanenitrile Openeye Name: 2-[4-(3-anilino-3-phenyl-propanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridyl)acetonitrile CAS Name: 2-[4-(3-anilino-1-oxo-3-phenylpropyl)-1-piperazinyl]-2-(2-methyl-3-pyridinyl)acetonitrile IUPAC Name: 2-[4-(3-anilino-3-phenylpropanoyl)piperazin-1-yl]-2-(2-methylpyridin-3-yl)acetonitrile Traditional Name: 2-[4-(3-anilino-3-phenyl-propanoyl)piperazino]-2-(2-methyl-3-pyridyl)acetonitrile Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C27H29N5O/c1-21-24(13-8-14-29-21)26(20-28)31-15-17-32(18-16-31)27(33)19-25(22-9-4-2-5-10-22)30-23-11-6-3-7-12-23/h2-14,25-26,30H,15-19H2,1H3