6-[3-(azepan-1-ylcarbonyl)phenyl]-1'-propan-2-yl-spiro[3H-chromene-2,4'-piperidine]-4-one

Systemtic Name: 6-[3-(azepan-1-ylcarbonyl)phenyl]-1'-propan-2-yl-spiro[3H-chromene-2,4'-piperidine]-4-one Openeye Name: 6-[3-(azepane-1-carbonyl)phenyl]-1'-isopropyl-spiro[chromane-2,4'-piperidine]-4-one CAS Name: 6-[3-[1-azepanyl(oxo)methyl]phenyl]-1'-propan-2-yl-4-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]one IUPAC Name: 6-[3-(azepane-1-carbonyl)phenyl]-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-4-one Traditional Name: 6-[3-(azepane-1-carbonyl)phenyl]-1'-isopropyl-spiro[chroman-2,4'-piperidine]-4-one Formula: C29H36N2O3 MolecularWeight: 460.60774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC2(CC1)CC(=O)C3=C(O2)C=CC(=C3)C4=CC(=CC=C4)C(=O)N5CCCCCC5

Isomeric SMILES

CC(C)N1CCC2(CC1)CC(=O)C3=C(O2)C=CC(=C3)C4=CC(=CC=C4)C(=O)N5CCCCCC5

InChI

InChI=1S/C29H36N2O3/c1-21(2)30-16-12-29(13-17-30)20-26(32)25-19-23(10-11-27(25)34-29)22-8-7-9-24(18-22)28(33)31-14-5-3-4-6-15-31/h7-11,18-19,21H,3-6,12-17,20H2,1-2H3