phenyl N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]carbamate

Systemtic Name: phenyl N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]carbamate Openeye Name: phenyl N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]carbamate CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazinyl)ethyl]carbamic acid phenyl ester IUPAC Name: phenyl N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]carbamate Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazino)ethyl]carbamic acid phenyl ester Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(CNC(=O)OC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)[C@H](CNC(=O)OC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27N3O4/c30-26(33-22-9-5-2-6-10-22)27-18-23(20-11-12-24-25(17-20)32-19-31-24)29-15-13-28(14-16-29)21-7-3-1-4-8-21/h1-12,17,23H,13-16,18-19H2,(H,27,30)/t23-/m1/s1