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

Systemtic Name: N-(6-azanylhexyl)-N-[1-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-3-nitro-benzamide Openeye Name: N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]ethyl]-3-nitro-benzamide CAS Name: N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]ethyl]-3-nitrobenzamide IUPAC Name: N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-nitrobenzamide Traditional Name: N-(6-aminohexyl)-N-[1-[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]ethyl]-3-nitro-benzamide Formula: C26H33N5O5 MolecularWeight: 495.57072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O5/c1-19(24-28-23-13-6-5-12-22(23)26(33)30(24)16-17-36-2)29(15-8-4-3-7-14-27)25(32)20-10-9-11-21(18-20)31(34)35/h5-6,9-13,18-19H,3-4,7-8,14-17,27H2,1-2H3