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

Systemtic Name: N-[2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]cyclopentanecarboxamide Openeye Name: N-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxo-ethyl]cyclopentanecarboxamide CAS Name: N-[2-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-2-oxoethyl]cyclopentanecarboxamide IUPAC Name: N-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide Traditional Name: N-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-2-keto-ethyl]cyclopentanecarboxamide Formula: C21H28N6O2 MolecularWeight: 396.48602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

C1CCC(C1)C(=O)NCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C21H28N6O2/c22-20-16-7-3-4-8-17(16)24-18(25-20)14-26-9-11-27(12-10-26)19(28)13-23-21(29)15-5-1-2-6-15/h3-4,7-8,15H,1-2,5-6,9-14H2,(H,23,29)(H2,22,24,25)