[4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]-3-nitro-phenyl]-morpholin-4-yl-methanone

Systemtic Name: [4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]-3-nitro-phenyl]-morpholin-4-yl-methanone Openeye Name: [4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]-3-nitro-phenyl]-morpholino-methanone CAS Name: [4-[4-[4-(cyclopentylamino)-2-quinazolinyl]-1-piperazinyl]-3-nitrophenyl]-(4-morpholinyl)methanone IUPAC Name: [4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone Traditional Name: [4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazino]-3-nitro-phenyl]-morpholino-methanone Formula: C28H33N7O4 MolecularWeight: 531.60612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)C5=C(C=C(C=C5)C(=O)N6CCOCC6)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)NC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)C5=C(C=C(C=C5)C(=O)N6CCOCC6)[N+](=O)[O-]

InChI

InChI=1S/C28H33N7O4/c36-27(33-15-17-39-18-16-33)20-9-10-24(25(19-20)35(37)38)32-11-13-34(14-12-32)28-30-23-8-4-3-7-22(23)26(31-28)29-21-5-1-2-6-21/h3-4,7-10,19,21H,1-2,5-6,11-18H2,(H,29,30,31)