(2S)-2-azanyl-4-methyl-N-[1-methyl-4-(4-piperazin-1-ylphenyl)pyrazol-3-yl]pentanamide

Systemtic Name: (2S)-2-azanyl-4-methyl-N-[1-methyl-4-(4-piperazin-1-ylphenyl)pyrazol-3-yl]pentanamide Openeye Name: (2S)-2-amino-4-methyl-N-[1-methyl-4-(4-piperazin-1-ylphenyl)pyrazol-3-yl]pentanamide CAS Name: (2S)-2-amino-4-methyl-N-[1-methyl-4-[4-(1-piperazinyl)phenyl]-3-pyrazolyl]pentanamide IUPAC Name: (2S)-2-amino-4-methyl-N-[1-methyl-4-(4-piperazin-1-ylphenyl)pyrazol-3-yl]pentanamide Traditional Name: (2S)-2-amino-4-methyl-N-[1-methyl-4-(4-piperazinophenyl)pyrazol-3-yl]valeramide Formula: C20H30N6O MolecularWeight: 370.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=NN(C=C1C2=CC=C(C=C2)N3CCNCC3)C)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=NN(C=C1C2=CC=C(C=C2)N3CCNCC3)C)N

InChI

InChI=1S/C20H30N6O/c1-14(2)12-18(21)20(27)23-19-17(13-25(3)24-19)15-4-6-16(7-5-15)26-10-8-22-9-11-26/h4-7,13-14,18,22H,8-12,21H2,1-3H3,(H,23,24,27)/t18-/m0/s1