N-(2-azanylethyl)-1-(2-chloranylpyridin-3-yl)carbonyl-4-(phenylmethyl)piperazine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(2-chloranylpyridin-3-yl)carbonyl-4-(phenylmethyl)piperazine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-benzyl-1-(2-chloropyridine-3-carbonyl)piperazine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(2-chloro-3-pyridinyl)-oxomethyl]-4-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-benzyl-1-(2-chloropyridine-3-carbonyl)piperazine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-benzyl-1-(2-chloronicotinoyl)piperazine-2-carboxamide Formula: C20H24ClN5O2 MolecularWeight: 401.88986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=CC=C2)C(=O)NCCN)C(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

C1CN(C(CN1CC2=CC=CC=C2)C(=O)NCCN)C(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C20H24ClN5O2/c21-18-16(7-4-9-23-18)20(28)26-12-11-25(13-15-5-2-1-3-6-15)14-17(26)19(27)24-10-8-22/h1-7,9,17H,8,10-14,22H2,(H,24,27)