(2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-(3-methoxyphenyl)carbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-(3-methoxyphenyl)carbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-(3-methoxybenzoyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-cyclopropylamino]-1-[(3-methoxyphenyl)-oxomethyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-cyclopropylamino]-1-(3-methoxybenzoyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanobenzyl)-cyclopropyl-amino]-1-m-anisoyl-pipecolinamide Formula: C27H33N5O3 MolecularWeight: 475.58262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCC(CC2C(=O)NCCN)N(CC3=CC=C(C=C3)C#N)C4CC4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCC(C[C@@H]2C(=O)NCCN)N(CC3=CC=C(C=C3)C#N)C4CC4

InChI

InChI=1S/C27H33N5O3/c1-35-24-4-2-3-21(15-24)27(34)31-14-11-23(16-25(31)26(33)30-13-12-28)32(22-9-10-22)18-20-7-5-19(17-29)6-8-20/h2-8,15,22-23,25H,9-14,16,18,28H2,1H3,(H,30,33)/t23?,25-/m1/s1