2-[2-azanyl-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile

Systemtic Name: 2-[2-azanyl-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile Openeye Name: 2-[2-amino-3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-oxo-propyl]benzonitrile CAS Name: 2-[2-amino-3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-oxopropyl]benzonitrile IUPAC Name: 2-[2-amino-3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzonitrile Traditional Name: 2-[2-amino-3-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-keto-propyl]benzonitrile Formula: C21H23ClN4O MolecularWeight: 382.88652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3C#N)N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3C#N)N

InChI

InChI=1S/C21H23ClN4O/c1-15-6-7-18(22)13-20(15)25-8-10-26(11-9-25)21(27)19(24)12-16-4-2-3-5-17(16)14-23/h2-7,13,19H,8-12,24H2,1H3