1-(6-ethoxy-4-methyl-quinazolin-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]azepan-4-amine

Systemtic Name: 1-(6-ethoxy-4-methyl-quinazolin-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]azepan-4-amine Openeye Name: 1-(6-ethoxy-4-methyl-quinazolin-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]azepan-4-amine CAS Name: 1-(6-ethoxy-4-methyl-2-quinazolinyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-azepanamine IUPAC Name: 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]azepan-4-amine Traditional Name: [1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amine Formula: C21H29N7O MolecularWeight: 395.50126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCC(CC3)NCC4=NNC(=N4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCC(CC3)NCC4=NNC(=N4)C

InChI

InChI=1S/C21H29N7O/c1-4-29-17-7-8-19-18(12-17)14(2)23-21(25-19)28-10-5-6-16(9-11-28)22-13-20-24-15(3)26-27-20/h7-8,12,16,22H,4-6,9-11,13H2,1-3H3,(H,24,26,27)