N-(3-ethylpent-1-yn-3-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-butanamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-butanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-butanamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-phenylbutanamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutanamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-4-[4-(2-methoxyphenyl)piperazino]-2-phenyl-butyramide Formula: C28H37N3O2 MolecularWeight: 447.61228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C(CCN1CCN(CC1)C2=CC=CC=C2OC)C3=CC=CC=C3

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C(CCN1CCN(CC1)C2=CC=CC=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C28H37N3O2/c1-5-28(6-2,7-3)29-27(32)24(23-13-9-8-10-14-23)17-18-30-19-21-31(22-20-30)25-15-11-12-16-26(25)33-4/h1,8-16,24H,6-7,17-22H2,2-4H3,(H,29,32)