N-(6-azanylhexyl)-2-chloranyl-N-[1-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-4-nitro-benzamide

Systemtic Name: N-(6-azanylhexyl)-2-chloranyl-N-[1-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-4-nitro-benzamide Openeye Name: N-(6-aminohexyl)-2-chloro-N-[1-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]ethyl]-4-nitro-benzamide CAS Name: N-(6-aminohexyl)-2-chloro-N-[1-[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]ethyl]-4-nitrobenzamide IUPAC Name: N-(6-aminohexyl)-2-chloro-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-4-nitrobenzamide Traditional Name: N-(6-aminohexyl)-2-chloro-N-[1-[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]ethyl]-4-nitro-benzamide Formula: C26H32ClN5O5 MolecularWeight: 530.01578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C(=O)N1CCOC)N(CCCCCCN)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C1=NC2=CC=CC=C2C(=O)N1CCOC)N(CCCCCCN)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C26H32ClN5O5/c1-18(24-29-23-10-6-5-9-21(23)26(34)31(24)15-16-37-2)30(14-8-4-3-7-13-28)25(33)20-12-11-19(32(35)36)17-22(20)27/h5-6,9-12,17-18H,3-4,7-8,13-16,28H2,1-2H3