azepan-1-yl-[1-methyl-5-(3-pyridin-4-ylpropylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[1-methyl-5-(3-pyridin-4-ylpropylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: azepan-1-yl-[1-methyl-5-[3-(4-pyridyl)propylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone CAS Name: 1-azepanyl-[1-methyl-5-(3-pyridin-4-ylpropylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[1-methyl-5-(3-pyridin-4-ylpropylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: azepan-1-yl-[1-methyl-5-[3-(4-pyridyl)propylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone Formula: C23H33N5O MolecularWeight: 395.54102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)NCCCC3=CC=NC=C3)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=C(CC(CC2)NCCCC3=CC=NC=C3)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H33N5O/c1-27-21-9-8-19(25-12-6-7-18-10-13-24-14-11-18)17-20(21)22(26-27)23(29)28-15-4-2-3-5-16-28/h10-11,13-14,19,25H,2-9,12,15-17H2,1H3