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

Systemtic Name: azepan-1-yl-[5-[(4-phenyloxan-4-yl)methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [1-allyl-5-[(4-phenyltetrahydropyran-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[5-[(4-phenyl-4-oxanyl)methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[5-[(4-phenyloxan-4-yl)methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [1-allyl-5-[(4-phenyltetrahydropyran-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone Formula: C29H40N4O2 MolecularWeight: 476.6535

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)NCC3(CCOCC3)C4=CC=CC=C4)C(=N1)C(=O)N5CCCCCC5

Isomeric SMILES

C=CCN1C2=C(CC(CC2)NCC3(CCOCC3)C4=CC=CC=C4)C(=N1)C(=O)N5CCCCCC5

InChI

InChI=1S/C29H40N4O2/c1-2-16-33-26-13-12-24(21-25(26)27(31-33)28(34)32-17-8-3-4-9-18-32)30-22-29(14-19-35-20-15-29)23-10-6-5-7-11-23/h2,5-7,10-11,24,30H,1,3-4,8-9,12-22H2