phenyl N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]carbamate

Systemtic Name: phenyl N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]carbamate Openeye Name: phenyl N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3-pyridyl)ethyl]carbamate CAS Name: N-[(2S)-2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]carbamic acid phenyl ester IUPAC Name: phenyl N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate Traditional Name: N-[(2S)-2-[4-(4-methoxyphenyl)piperazino]-2-(3-pyridyl)ethyl]carbamic acid phenyl ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)OC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)[C@H](CNC(=O)OC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C25H28N4O3/c1-31-22-11-9-21(10-12-22)28-14-16-29(17-15-28)24(20-6-5-13-26-18-20)19-27-25(30)32-23-7-3-2-4-8-23/h2-13,18,24H,14-17,19H2,1H3,(H,27,30)/t24-/m1/s1