N-ethyl-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-ethyl-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-ethyl-1,4-diazepane-1-carboxamide CAS Name: N-ethyl-4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-ethyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-ethyl-1,4-diazepane-1-carboxamide Formula: C22H31N5O MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NCC)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NCC)CC3=CC=CC=C3

InChI

InChI=1S/C22H31N5O/c1-4-20-19(16-18-10-7-6-8-11-18)21(25-17(3)24-20)26-12-9-13-27(15-14-26)22(28)23-5-2/h6-8,10-11H,4-5,9,12-16H2,1-3H3,(H,23,28)