(phenylmethyl) N-[(2S)-1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-(azepan-1-yl)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(1-azepanyl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(azepan-1-yl)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamic acid benzyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3/c29-24(28-14-8-1-2-9-15-28)23(16-20-17-26-22-13-7-6-12-21(20)22)27-25(30)31-18-19-10-4-3-5-11-19/h3-7,10-13,17,23,26H,1-2,8-9,14-16,18H2,(H,27,30)/t23-/m0/s1