1-[5-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-oxomethyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O2/c1-13(27)14-10-17(22-11-14)20(28)26-8-6-25(7-9-26)12-18-23-16-5-3-2-4-15(16)19(21)24-18/h2-5,10-11,22H,6-9,12H2,1H3,(H2,21,23,24)