(2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-ethanoyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-ethanoyl-piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-cyclopropylamino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-cyclopropylamino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-cyanobenzyl)-cyclopropyl-amino]pipecolinamide Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1C(=O)NCCN)N(CC2=CC=C(C=C2)C#N)C3CC3

Isomeric SMILES

CC(=O)N1CCC(C[C@@H]1C(=O)NCCN)N(CC2=CC=C(C=C2)C#N)C3CC3

InChI

InChI=1S/C21H29N5O2/c1-15(27)25-11-8-19(12-20(25)21(28)24-10-9-22)26(18-6-7-18)14-17-4-2-16(13-23)3-5-17/h2-5,18-20H,6-12,14,22H2,1H3,(H,24,28)/t19?,20-/m1/s1