(2S)-2-[[5-[4-(4-cyanophenyl)piperidin-1-yl]carbonyl-2-methyl-phenyl]carbamoylamino]-4-methyl-pentanamide

Systemtic Name: (2S)-2-[[5-[4-(4-cyanophenyl)piperidin-1-yl]carbonyl-2-methyl-phenyl]carbamoylamino]-4-methyl-pentanamide Openeye Name: (2S)-2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-phenyl]carbamoylamino]-4-methyl-pentanamide CAS Name: (2S)-2-[[[5-[[4-(4-cyanophenyl)-1-piperidinyl]-oxomethyl]-2-methylanilino]-oxomethyl]amino]-4-methylpentanamide IUPAC Name: (2S)-2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]-4-methylpentanamide Traditional Name: (2S)-2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-phenyl]carbamoylamino]-4-methyl-valeramide Formula: C27H33N5O3 MolecularWeight: 475.58262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C#N)NC(=O)NC(CC(C)C)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C#N)NC(=O)N[C@@H](CC(C)C)C(=O)N

InChI

InChI=1S/C27H33N5O3/c1-17(2)14-24(25(29)33)31-27(35)30-23-15-22(7-4-18(23)3)26(34)32-12-10-21(11-13-32)20-8-5-19(16-28)6-9-20/h4-9,15,17,21,24H,10-14H2,1-3H3,(H2,29,33)(H2,30,31,35)/t24-/m0/s1