methyl 1-[2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-2-keto-ethyl]indole-3-carboxylic acid methyl ester Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C25H26N6O3/c1-34-25(33)19-14-31(21-9-5-3-6-17(19)21)16-23(32)30-12-10-29(11-13-30)15-22-27-20-8-4-2-7-18(20)24(26)28-22/h2-9,14H,10-13,15-16H2,1H3,(H2,26,27,28)