N-(3,4-dimethylphenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propanamide hydrochloride

Systemtic Name: N-(3,4-dimethylphenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propanamide hydrochloride Openeye Name: 3-(4-benzylpiperazin-1-yl)-N-(3,4-dimethylphenyl)propanamide hydrochloride CAS Name: N-(3,4-dimethylphenyl)-3-[4-(phenylmethyl)-1-piperazinyl]propanamide hydrochloride IUPAC Name: 3-(4-benzylpiperazin-1-yl)-N-(3,4-dimethylphenyl)propanamide hydrochloride Traditional Name: 3-(4-benzylpiperazino)-N-(3,4-dimethylphenyl)propionamide hydrochloride Formula: C22H30ClN3O MolecularWeight: 387.9461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCN2CCN(CC2)CC3=CC=CC=C3)C.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCN2CCN(CC2)CC3=CC=CC=C3)C.Cl

InChI

InChI=1S/C22H29N3O.ClH/c1-18-8-9-21(16-19(18)2)23-22(26)10-11-24-12-14-25(15-13-24)17-20-6-4-3-5-7-20;/h3-9,16H,10-15,17H2,1-2H3,(H,23,26);1H