N-[4-methyl-1-oxidanylidene-1-[(1-phenylindazol-3-yl)methylamino]pentan-2-yl]azepane-1-carboxamide

Systemtic Name: N-[4-methyl-1-oxidanylidene-1-[(1-phenylindazol-3-yl)methylamino]pentan-2-yl]azepane-1-carboxamide Openeye Name: N-[3-methyl-1-[(1-phenylindazol-3-yl)methylcarbamoyl]butyl]azepane-1-carboxamide CAS Name: N-[4-methyl-1-oxo-1-[(1-phenyl-3-indazolyl)methylamino]pentan-2-yl]-1-azepanecarboxamide IUPAC Name: N-[4-methyl-1-oxo-1-[(1-phenylindazol-3-yl)methylamino]pentan-2-yl]azepane-1-carboxamide Traditional Name: N-[3-methyl-1-[(1-phenylindazol-3-yl)methylcarbamoyl]butyl]azepane-1-carboxamide Formula: C27H35N5O2 MolecularWeight: 461.5991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1=NN(C2=CC=CC=C21)C3=CC=CC=C3)NC(=O)N4CCCCCC4

Isomeric SMILES

CC(C)CC(C(=O)NCC1=NN(C2=CC=CC=C21)C3=CC=CC=C3)NC(=O)N4CCCCCC4

InChI

InChI=1S/C27H35N5O2/c1-20(2)18-23(29-27(34)31-16-10-3-4-11-17-31)26(33)28-19-24-22-14-8-9-15-25(22)32(30-24)21-12-6-5-7-13-21/h5-9,12-15,20,23H,3-4,10-11,16-19H2,1-2H3,(H,28,33)(H,29,34)