4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O2/c1-19-24(17-21-9-5-4-6-10-21)25(28-20(2)27-19)30-13-8-14-31(16-15-30)26(32)29-22-11-7-12-23(18-22)33-3/h4-7,9-12,18H,8,13-17H2,1-3H3,(H,29,32)