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

Systemtic Name: 1-[4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one Openeye Name: 1-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one CAS Name: 1-[4-(2,6-dimethyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]-3-(4-nitrophenyl)-2-propen-1-one IUPAC Name: 1-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one Traditional Name: 1-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C23H29N5O3/c1-16(2)22-17(3)24-18(4)25-23(22)27-13-5-12-26(14-15-27)21(29)11-8-19-6-9-20(10-7-19)28(30)31/h6-11,16H,5,12-15H2,1-4H3