N-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxy-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-methyl-indole-2-carboxamide

Systemtic Name: N-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxy-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-methyl-indole-2-carboxamide Openeye Name: N-[(1S)-1-[[(1R)-2-benzyloxy-1-cyano-ethyl]carbamoyl]-3-methyl-butyl]-1-methyl-indole-2-carboxamide CAS Name: N-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-4-methyl-1-oxopentan-2-yl]-1-methyl-2-indolecarboxamide IUPAC Name: N-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-4-methyl-1-oxopentan-2-yl]-1-methylindole-2-carboxamide Traditional Name: N-[(1S)-1-[[(1R)-2-benzoxy-1-cyano-ethyl]carbamoyl]-3-methyl-butyl]-1-methyl-indole-2-carboxamide Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(COCC1=CC=CC=C1)C#N)NC(=O)C2=CC3=CC=CC=C3N2C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](COCC1=CC=CC=C1)C#N)NC(=O)C2=CC3=CC=CC=C3N2C

InChI

InChI=1S/C26H30N4O3/c1-18(2)13-22(29-26(32)24-14-20-11-7-8-12-23(20)30(24)3)25(31)28-21(15-27)17-33-16-19-9-5-4-6-10-19/h4-12,14,18,21-22H,13,16-17H2,1-3H3,(H,28,31)(H,29,32)/t21-,22+/m1/s1