azepan-1-yl-[1-prop-2-enyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[1-prop-2-enyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [1-allyl-5-(4-pyridylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[1-prop-2-enyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[1-prop-2-enyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [1-allyl-5-(4-pyridylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone Formula: C23H31N5O MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)NCC3=CC=NC=C3)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

C=CCN1C2=C(CC(CC2)NCC3=CC=NC=C3)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H31N5O/c1-2-13-28-21-8-7-19(25-17-18-9-11-24-12-10-18)16-20(21)22(26-28)23(29)27-14-5-3-4-6-15-27/h2,9-12,19,25H,1,3-8,13-17H2