N-[3-[cyclohexyl-(3-nitrophenyl)carbonyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[cyclohexyl-(3-nitrophenyl)carbonyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[cyclohexyl-(3-nitrobenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[cyclohexyl-[(3-nitrophenyl)-oxomethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[cyclohexyl-(3-nitrobenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[cyclohexyl-(3-nitrobenzoyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C25H27N5O5 MolecularWeight: 477.51238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O5/c31-23-20-12-4-5-13-21(20)27-22(28-23)24(32)26-14-7-15-29(18-9-2-1-3-10-18)25(33)17-8-6-11-19(16-17)30(34)35/h4-6,8,11-13,16,18H,1-3,7,9-10,14-15H2,(H,26,32)(H,27,28,31)