2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-N-(4-methyl-3-nitro-phenyl)propanamide

Systemtic Name: 2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-N-(4-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(4-methyl-3-nitro-phenyl)propanamide CAS Name: 2-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-N-(4-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(4-methyl-3-nitrophenyl)propanamide Traditional Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-N-(4-methyl-3-nitro-phenyl)propionamide Formula: C23H27N7O3 MolecularWeight: 449.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N)[N+](=O)[O-]

InChI

InChI=1S/C23H27N7O3/c1-15-7-8-17(13-20(15)30(32)33)25-23(31)16(2)29-11-9-28(10-12-29)14-21-26-19-6-4-3-5-18(19)22(24)27-21/h3-8,13,16H,9-12,14H2,1-2H3,(H,25,31)(H2,24,26,27)