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

Systemtic Name: N7-ethyl-6-nitro-N4-[(4-piperidin-1-ylphenyl)methyl]quinazoline-4,7-diamine Openeye Name: N7-ethyl-6-nitro-N4-[[4-(1-piperidyl)phenyl]methyl]quinazoline-4,7-diamine CAS Name: N7-ethyl-6-nitro-N4-[[4-(1-piperidinyl)phenyl]methyl]quinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-6-nitro-4-N-[(4-piperidin-1-ylphenyl)methyl]quinazoline-4,7-diamine Traditional Name: ethyl-[6-nitro-4-[(4-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=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O2/c1-2-23-20-13-19-18(12-21(20)28(29)30)22(26-15-25-19)24-14-16-6-8-17(9-7-16)27-10-4-3-5-11-27/h6-9,12-13,15,23H,2-5,10-11,14H2,1H3,(H,24,25,26)