2-[1-[4-(3,5-dinitrophenyl)carbonyl-3-methyl-piperazin-1-yl]ethyl]-3-(2-methoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[1-[4-(3,5-dinitrophenyl)carbonyl-3-methyl-piperazin-1-yl]ethyl]-3-(2-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[1-[4-(3,5-dinitrobenzoyl)-3-methyl-piperazin-1-yl]ethyl]-3-(2-methoxyphenyl)quinazolin-4-one CAS Name: 2-[1-[4-[(3,5-dinitrophenyl)-oxomethyl]-3-methyl-1-piperazinyl]ethyl]-3-(2-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[1-[4-(3,5-dinitrobenzoyl)-3-methylpiperazin-1-yl]ethyl]-3-(2-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[1-[4-(3,5-dinitrobenzoyl)-3-methyl-piperazino]ethyl]-3-(2-methoxyphenyl)quinazolin-4-one Formula: C29H28N6O7 MolecularWeight: 572.56862

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(C)C3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5OC

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(C)C3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5OC

InChI

InChI=1S/C29H28N6O7/c1-18-17-31(12-13-32(18)28(36)20-14-21(34(38)39)16-22(15-20)35(40)41)19(2)27-30-24-9-5-4-8-23(24)29(37)33(27)25-10-6-7-11-26(25)42-3/h4-11,14-16,18-19H,12-13,17H2,1-3H3