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

Systemtic Name: azepan-1-yl-[5-(furan-2-ylmethylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [1-allyl-5-(2-furylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[5-(2-furanylmethylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[5-(furan-2-ylmethylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [1-allyl-5-(2-furfurylamino)-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)NCC3=CC=CO3)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

C=CCN1C2=C(CC(CC2)NCC3=CC=CO3)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H30N4O2/c1-2-11-26-20-10-9-17(23-16-18-8-7-14-28-18)15-19(20)21(24-26)22(27)25-12-5-3-4-6-13-25/h2,7-8,14,17,23H,1,3-6,9-13,15-16H2