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

Systemtic Name: N-(6-azanylhexyl)-N-[1-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-(6-aminohexyl)-N-[1-[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]ethyl]-4-methyl-3-nitro-benzamide Formula: C27H35N5O5 MolecularWeight: 509.5973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CCCCCCN)C(C)C2=NC3=CC=CC=C3C(=O)N2CCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CCCCCCN)C(C)C2=NC3=CC=CC=C3C(=O)N2CCOC)[N+](=O)[O-]

InChI

InChI=1S/C27H35N5O5/c1-19-12-13-21(18-24(19)32(35)36)26(33)30(15-9-5-4-8-14-28)20(2)25-29-23-11-7-6-10-22(23)27(34)31(25)16-17-37-3/h6-7,10-13,18,20H,4-5,8-9,14-17,28H2,1-3H3