3-(2,5-dimethylpiperazin-1-yl)-2-methoxy-4-(phenylmethyl)benzenecarbonitrile

Systemtic Name: 3-(2,5-dimethylpiperazin-1-yl)-2-methoxy-4-(phenylmethyl)benzenecarbonitrile Openeye Name: 4-benzyl-3-(2,5-dimethylpiperazin-1-yl)-2-methoxy-benzonitrile CAS Name: 3-(2,5-dimethyl-1-piperazinyl)-2-methoxy-4-(phenylmethyl)benzonitrile IUPAC Name: 4-benzyl-3-(2,5-dimethylpiperazin-1-yl)-2-methoxybenzonitrile Traditional Name: 4-benzyl-3-(2,5-dimethylpiperazino)-2-methoxy-benzonitrile Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(CN1C2=C(C=CC(=C2OC)C#N)CC3=CC=CC=C3)C

Isomeric SMILES

CC1CNC(CN1C2=C(C=CC(=C2OC)C#N)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H25N3O/c1-15-14-24(16(2)13-23-15)20-18(11-17-7-5-4-6-8-17)9-10-19(12-22)21(20)25-3/h4-10,15-16,23H,11,13-14H2,1-3H3