3-(4-nitrophenyl)-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]prop-2-en-1-one

Systemtic Name: 3-(4-nitrophenyl)-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]prop-2-en-1-one Openeye Name: 3-(4-nitrophenyl)-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]prop-2-en-1-one CAS Name: 3-(4-nitrophenyl)-1-[4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepan-1-yl]-2-propen-1-one IUPAC Name: 3-(4-nitrophenyl)-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]prop-2-en-1-one Traditional Name: 3-(4-nitrophenyl)-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]prop-2-en-1-one Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCN(CC2)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCN(CC2)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H25N5O3/c1-15-16(2)22-17(3)23-21(15)25-12-4-11-24(13-14-25)20(27)10-7-18-5-8-19(9-6-18)26(28)29/h5-10H,4,11-14H2,1-3H3