N-phenethyl-4-pyrimidin-5-ylcarbonyl-1,4-diazepane-1-carboxamide hydrochloride

Systemtic Name: N-phenethyl-4-pyrimidin-5-ylcarbonyl-1,4-diazepane-1-carboxamide hydrochloride Openeye Name: N-phenethyl-4-(pyrimidine-5-carbonyl)-1,4-diazepane-1-carboxamide hydrochloride CAS Name: 4-[oxo(5-pyrimidinyl)methyl]-N-phenethyl-1,4-diazepane-1-carboxamide hydrochloride IUPAC Name: N-phenethyl-4-(pyrimidine-5-carbonyl)-1,4-diazepane-1-carboxamide hydrochloride Traditional Name: N-phenethyl-4-(pyrimidine-5-carbonyl)-1,4-diazepane-1-carboxamide hydrochloride Formula: C19H24ClN5O2 MolecularWeight: 389.87916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCCC2=CC=CC=C2)C(=O)C3=CN=CN=C3.Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCCC2=CC=CC=C2)C(=O)C3=CN=CN=C3.Cl

InChI

InChI=1S/C19H23N5O2.ClH/c25-18(17-13-20-15-21-14-17)23-9-4-10-24(12-11-23)19(26)22-8-7-16-5-2-1-3-6-16;/h1-3,5-6,13-15H,4,7-12H2,(H,22,26);1H