[5-methyl-2-(1,2,3-triazol-2-yl)phenyl]-(4-quinazolin-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: [5-methyl-2-(1,2,3-triazol-2-yl)phenyl]-(4-quinazolin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [5-methyl-2-(triazol-2-yl)phenyl]-(4-quinazolin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [5-methyl-2-(2-triazolyl)phenyl]-[4-(2-quinazolinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [5-methyl-2-(triazol-2-yl)phenyl]-(4-quinazolin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [5-methyl-2-(triazol-2-yl)phenyl]-(4-quinazolin-2-yl-1,4-diazepan-1-yl)methanone Formula: C23H23N7O MolecularWeight: 413.47502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3CCCN(CC3)C4=NC5=CC=CC=C5C=N4

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3CCCN(CC3)C4=NC5=CC=CC=C5C=N4

InChI

InChI=1S/C23H23N7O/c1-17-7-8-21(30-25-9-10-26-30)19(15-17)22(31)28-11-4-12-29(14-13-28)23-24-16-18-5-2-3-6-20(18)27-23/h2-3,5-10,15-16H,4,11-14H2,1H3