N-[2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-3-methyl-benzamide

Systemtic Name: N-[2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-3-methyl-benzamide Openeye Name: N-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxo-ethyl]-3-methyl-benzamide CAS Name: N-[2-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-2-oxoethyl]-3-methylbenzamide IUPAC Name: N-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzamide Traditional Name: N-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-2-keto-ethyl]-3-methyl-benzamide Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C23H26N6O2/c1-16-5-4-6-17(13-16)23(31)25-14-21(30)29-11-9-28(10-12-29)15-20-26-19-8-3-2-7-18(19)22(24)27-20/h2-8,13H,9-12,14-15H2,1H3,(H,25,31)(H2,24,26,27)