3-butyl-2-methoxy-5-(piperazin-1-ylmethyl)-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 3-butyl-2-methoxy-5-(piperazin-1-ylmethyl)-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 3-butyl-4-isopropyl-2-methoxy-5-(piperazin-1-ylmethyl)cyclohepta-2,4,6-trien-1-one CAS Name: 3-butyl-2-methoxy-5-(1-piperazinylmethyl)-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 3-butyl-2-methoxy-5-(piperazin-1-ylmethyl)-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 3-butyl-4-isopropyl-2-methoxy-5-(piperazinomethyl)cyclohepta-2,4,6-trien-1-one Formula: C20H32N2O2 MolecularWeight: 332.48028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C=CC(=C1C(C)C)CN2CCNCC2)OC

Isomeric SMILES

CCCCC1=C(C(=O)C=CC(=C1C(C)C)CN2CCNCC2)OC

InChI

InChI=1S/C20H32N2O2/c1-5-6-7-17-19(15(2)3)16(8-9-18(23)20(17)24-4)14-22-12-10-21-11-13-22/h8-9,15,21H,5-7,10-14H2,1-4H3