[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-methyl-3-nitro-phenyl)methanone Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C27H31N5O3/c1-4-24-23(17-21-9-6-5-7-10-21)26(29-20(3)28-24)30-13-8-14-31(16-15-30)27(33)22-12-11-19(2)25(18-22)32(34)35/h5-7,9-12,18H,4,8,13-17H2,1-3H3