[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(3-phenylcinnolin-4-yl)methanone

Systemtic Name: [4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(3-phenylcinnolin-4-yl)methanone Openeye Name: [4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(3-phenylcinnolin-4-yl)methanone CAS Name: [4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]-(3-phenyl-4-cinnolinyl)methanone IUPAC Name: [4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(3-phenylcinnolin-4-yl)methanone Traditional Name: [4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(3-phenylcinnolin-4-yl)methanone Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)C3=C(N=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)C3=C(N=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O2/c1-18-16-20(28-32-18)17-29-12-7-13-30(15-14-29)25(31)23-21-10-5-6-11-22(21)26-27-24(23)19-8-3-2-4-9-19/h2-6,8-11,16H,7,12-15,17H2,1H3