N-(2-azanylethyl)-1-(2-chloranylpyridin-3-yl)carbonyl-3-(4-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(2-chloranylpyridin-3-yl)carbonyl-3-(4-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(2-chloropyridine-3-carbonyl)-3-(4-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(2-chloro-3-pyridinyl)-oxomethyl]-3-[(4-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(2-chloropyridine-3-carbonyl)-3-(4-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(2-chloronicotinoyl)-3-p-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C21H24ClN5O3 MolecularWeight: 429.89996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C21H24ClN5O3/c1-14-5-7-15(8-6-14)20(29)26-12-3-13-27(19(26)18(28)25-11-9-23)21(30)16-4-2-10-24-17(16)22/h2,4-8,10,19H,3,9,11-13,23H2,1H3,(H,25,28)