N-methyl-12-oxidanylidene-N-[(1-phenylpyrazol-4-yl)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: N-methyl-12-oxidanylidene-N-[(1-phenylpyrazol-4-yl)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-methyl-12-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-methyl-12-oxo-N-[(1-phenyl-4-pyrazolyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-methyl-12-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N5CCCCCC5=N4

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N5CCCCCC5=N4

InChI

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