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

Systemtic Name: azepan-1-yl-[5-(1,2-oxazol-3-ylmethylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [1-allyl-5-(isoxazol-3-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[5-(3-isoxazolylmethylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[5-(1,2-oxazol-3-ylmethylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [1-allyl-5-(isoxazol-3-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O2/c1-2-10-26-19-8-7-16(22-15-17-9-13-28-24-17)14-18(19)20(23-26)21(27)25-11-5-3-4-6-12-25/h2,9,13,16,22H,1,3-8,10-12,14-15H2