2-azanyl-N-[1-[2-ethanoyl-3a-(phenylmethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]-3-(1H-indol-2-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide

Systemtic Name: 2-azanyl-N-[1-[2-ethanoyl-3a-(phenylmethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]-3-(1H-indol-2-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide Openeye Name: N-[2-(2-acetyl-3a-benzyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl)-1-(1H-indol-2-ylmethyl)-2-oxo-ethyl]-2-amino-2-methyl-propanamide CAS Name: N-[1-[2-acetyl-3a-(phenylmethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]-3-(1H-indol-2-yl)-1-oxopropan-2-yl]-2-amino-2-methylpropanamide IUPAC Name: N-[1-(2-acetyl-3a-benzyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl)-3-(1H-indol-2-yl)-1-oxopropan-2-yl]-2-amino-2-methylpropanamide Traditional Name: N-[2-(2-acetyl-3a-benzyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl)-1-(1H-indol-2-ylmethyl)-2-keto-ethyl]-2-amino-2-methyl-propionamide Formula: C31H39N5O3 MolecularWeight: 529.67306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2CCN(CC2(C1)CC3=CC=CC=C3)C(=O)C(CC4=CC5=CC=CC=C5N4)NC(=O)C(C)(C)N

Isomeric SMILES

CC(=O)N1CC2CCN(CC2(C1)CC3=CC=CC=C3)C(=O)C(CC4=CC5=CC=CC=C5N4)NC(=O)C(C)(C)N

InChI

InChI=1S/C31H39N5O3/c1-21(37)36-18-24-13-14-35(19-31(24,20-36)17-22-9-5-4-6-10-22)28(38)27(34-29(39)30(2,3)32)16-25-15-23-11-7-8-12-26(23)33-25/h4-12,15,24,27,33H,13-14,16-20,32H2,1-3H3,(H,34,39)