N-[(2S)-1-[(3,5-dimethylphenyl)methyl-methyl-amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-[(3,5-dimethylphenyl)methyl-methyl-amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[(1S)-2-[(3,5-dimethylphenyl)methyl-methyl-amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]benzamide CAS Name: N-[(2S)-1-[(3,5-dimethylphenyl)methyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[(3,5-dimethylphenyl)methyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide Traditional Name: N-[(1S)-2-[(3,5-dimethylbenzyl)-methyl-amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]benzamide Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN(C)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)CN(C)C(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C28H29N3O2/c1-19-13-20(2)15-21(14-19)18-31(3)28(33)26(30-27(32)22-9-5-4-6-10-22)16-23-17-29-25-12-8-7-11-24(23)25/h4-15,17,26,29H,16,18H2,1-3H3,(H,30,32)/t26-/m0/s1