N-(2-azanylethyl)-1-(3,4-dichlorophenyl)carbonyl-3-pyridin-4-ylcarbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3,4-dichlorophenyl)carbonyl-3-pyridin-4-ylcarbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-(pyridine-4-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3,4-dichlorophenyl)-oxomethyl]-3-[oxo(pyridin-4-yl)methyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-(pyridine-4-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-isonicotinoyl-hexahydropyrimidine-2-carboxamide Formula: C20H21Cl2N5O3 MolecularWeight: 450.31844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NCCN)C(=O)C3=CC=NC=C3

Isomeric SMILES

C1CN(C(N(C1)C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NCCN)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C20H21Cl2N5O3/c21-15-3-2-14(12-16(15)22)20(30)27-11-1-10-26(18(27)17(28)25-9-6-23)19(29)13-4-7-24-8-5-13/h2-5,7-8,12,18H,1,6,9-11,23H2,(H,25,28)