3-(2-methoxyethyl)-2-[1-[3-methyl-4-(4-methyl-3-nitro-phenyl)carbonyl-piperazin-1-yl]ethyl]quinazolin-4-one

Systemtic Name: 3-(2-methoxyethyl)-2-[1-[3-methyl-4-(4-methyl-3-nitro-phenyl)carbonyl-piperazin-1-yl]ethyl]quinazolin-4-one Openeye Name: 3-(2-methoxyethyl)-2-[1-[3-methyl-4-(4-methyl-3-nitro-benzoyl)piperazin-1-yl]ethyl]quinazolin-4-one CAS Name: 3-(2-methoxyethyl)-2-[1-[3-methyl-4-[(4-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinyl]ethyl]-4-quinazolinone IUPAC Name: 3-(2-methoxyethyl)-2-[1-[3-methyl-4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one Traditional Name: 3-(2-methoxyethyl)-2-[1-[3-methyl-4-(4-methyl-3-nitro-benzoyl)piperazino]ethyl]quinazolin-4-one Formula: C26H31N5O5 MolecularWeight: 493.55484

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C(C)C3=NC4=CC=CC=C4C(=O)N3CCOC

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C(C)C3=NC4=CC=CC=C4C(=O)N3CCOC

InChI

InChI=1S/C26H31N5O5/c1-17-9-10-20(15-23(17)31(34)35)25(32)29-12-11-28(16-18(29)2)19(3)24-27-22-8-6-5-7-21(22)26(33)30(24)13-14-36-4/h5-10,15,18-19H,11-14,16H2,1-4H3