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

Systemtic Name: azepan-1-yl-[5-[(3-methoxyphenyl)methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [1-allyl-5-[(3-methoxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[5-[(3-methoxyphenyl)methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[5-[(3-methoxyphenyl)methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [1-allyl-5-(m-anisylamino)-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone Formula: C25H34N4O2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)CNC2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H34N4O2/c1-3-13-29-23-12-11-20(26-18-19-9-8-10-21(16-19)31-2)17-22(23)24(27-29)25(30)28-14-6-4-5-7-15-28/h3,8-10,16,20,26H,1,4-7,11-15,17-18H2,2H3