N7-ethyl-6-nitro-N4-[(2-piperidin-1-ylphenyl)methyl]quinazoline-4,7-diamine

Systemtic Name: N7-ethyl-6-nitro-N4-[(2-piperidin-1-ylphenyl)methyl]quinazoline-4,7-diamine Openeye Name: N7-ethyl-6-nitro-N4-[[2-(1-piperidyl)phenyl]methyl]quinazoline-4,7-diamine CAS Name: N7-ethyl-6-nitro-N4-[[2-(1-piperidinyl)phenyl]methyl]quinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-6-nitro-4-N-[(2-piperidin-1-ylphenyl)methyl]quinazoline-4,7-diamine Traditional Name: ethyl-[6-nitro-4-[(2-piperidinobenzyl)amino]quinazolin-7-yl]amine Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O2/c1-2-23-19-13-18-17(12-21(19)28(29)30)22(26-15-25-18)24-14-16-8-4-5-9-20(16)27-10-6-3-7-11-27/h4-5,8-9,12-13,15,23H,2-3,6-7,10-11,14H2,1H3,(H,24,25,26)