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

Systemtic Name: azepan-1-yl-[5-[(3-chlorophenyl)methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [1-allyl-5-[(3-chlorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[5-[(3-chlorophenyl)methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[5-[(3-chlorophenyl)methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [1-allyl-5-[(3-chlorobenzyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone Formula: C24H31ClN4O MolecularWeight: 426.98214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31ClN4O/c1-2-12-29-22-11-10-20(26-17-18-8-7-9-19(25)15-18)16-21(22)23(27-29)24(30)28-13-5-3-4-6-14-28/h2,7-9,15,20,26H,1,3-6,10-14,16-17H2