N-[1-(2-cyanopropan-2-ylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(imidazol-1-ylmethyl)benzamide

Systemtic Name: N-[1-(2-cyanopropan-2-ylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(imidazol-1-ylmethyl)benzamide Openeye Name: N-[1-[(1-cyano-1-methyl-ethyl)carbamoyl]-3-methyl-butyl]-4-(imidazol-1-ylmethyl)benzamide CAS Name: N-[1-(2-cyanopropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]-4-(1-imidazolylmethyl)benzamide IUPAC Name: N-[1-(2-cyanopropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]-4-(imidazol-1-ylmethyl)benzamide Traditional Name: N-[1-[(1-cyano-1-methyl-ethyl)carbamoyl]-3-methyl-butyl]-4-(imidazol-1-ylmethyl)benzamide Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)(C)C#N)NC(=O)C1=CC=C(C=C1)CN2C=CN=C2

Isomeric SMILES

CC(C)CC(C(=O)NC(C)(C)C#N)NC(=O)C1=CC=C(C=C1)CN2C=CN=C2

InChI

InChI=1S/C21H27N5O2/c1-15(2)11-18(20(28)25-21(3,4)13-22)24-19(27)17-7-5-16(6-8-17)12-26-10-9-23-14-26/h5-10,14-15,18H,11-12H2,1-4H3,(H,24,27)(H,25,28)