4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Formula: C26H30N6O3 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C)C

InChI

InChI=1S/C26H30N6O3/c1-18-5-7-21(8-6-18)17-24-19(2)27-20(3)28-25(24)30-13-4-14-31(16-15-30)26(33)29-22-9-11-23(12-10-22)32(34)35/h5-12H,4,13-17H2,1-3H3,(H,29,33)