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

Systemtic Name: N-[3-[cyclohexyl-[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[cyclohexyl-[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[cyclohexyl-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[cyclohexyl-[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[cyclohexyl-[(E)-3-(3-nitrophenyl)acryloyl]amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C27H29N5O5 MolecularWeight: 503.54966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O5/c33-24(15-14-19-8-6-11-21(18-19)32(36)37)31(20-9-2-1-3-10-20)17-7-16-28-27(35)25-29-23-13-5-4-12-22(23)26(34)30-25/h4-6,8,11-15,18,20H,1-3,7,9-10,16-17H2,(H,28,35)(H,29,30,34)/b15-14+