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

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-(2-methoxyethanoyl)piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-cyclopropylamino]-1-(2-methoxy-1-oxoethyl)-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-cyclopropylamino]-1-(2-methoxyacetyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanobenzyl)-cyclopropyl-amino]-1-(2-methoxyacetyl)pipecolinamide Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O3/c1-30-15-21(28)26-11-8-19(12-20(26)22(29)25-10-9-23)27(18-6-7-18)14-17-4-2-16(13-24)3-5-17/h2-5,18-20H,6-12,14-15,23H2,1H3,(H,25,29)/t19?,20-/m1/s1