4-[6-(2-methylpropyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-2-yl]benzamide

Systemtic Name: 4-[6-(2-methylpropyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-2-yl]benzamide Openeye Name: 4-(6-isobutyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-2-yl)benzamide CAS Name: 4-[6-(2-methylpropyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-2-yl]benzamide IUPAC Name: 4-[6-(2-methylpropyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-2-yl]benzamide Traditional Name: 4-(6-isobutyl-4,5,7,8-tetrahydropyrazol[3,4-d]azepin-2-yl)benzamide Formula: C18H24N4O MolecularWeight: 312.40936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCC2=CN(N=C2CC1)C3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC(C)CN1CCC2=CN(N=C2CC1)C3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C18H24N4O/c1-13(2)11-21-9-7-15-12-22(20-17(15)8-10-21)16-5-3-14(4-6-16)18(19)23/h3-6,12-13H,7-11H2,1-2H3,(H2,19,23)