3-methyl-2-[1-[3-methyl-4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]propyl]quinazolin-4-one

Systemtic Name: 3-methyl-2-[1-[3-methyl-4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]propyl]quinazolin-4-one Openeye Name: 3-methyl-2-[1-[3-methyl-4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]propyl]quinazolin-4-one CAS Name: 3-methyl-2-[1-[3-methyl-4-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]propyl]-4-quinazolinone IUPAC Name: 3-methyl-2-[1-[3-methyl-4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]propyl]quinazolin-4-one Traditional Name: 3-methyl-2-[1-[3-methyl-4-[(E)-3-(4-nitrophenyl)acryloyl]piperazino]propyl]quinazolin-4-one Formula: C26H29N5O4 MolecularWeight: 475.53956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(=O)N1C)N3CCN(C(C3)C)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(C1=NC2=CC=CC=C2C(=O)N1C)N3CCN(C(C3)C)C(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H29N5O4/c1-4-23(25-27-22-8-6-5-7-21(22)26(33)28(25)3)29-15-16-30(18(2)17-29)24(32)14-11-19-9-12-20(13-10-19)31(34)35/h5-14,18,23H,4,15-17H2,1-3H3/b14-11+