N-(8a-methyl-6-propan-2-yl-spiro[7,8-dihydro-4aH-1,2,4-benzotrioxine-3,4'-cyclohexane]-1'-yl)-N'-(7-chloranylquinolin-4-yl)butane-1,4-diamine

Systemtic Name: N-(8a-methyl-6-propan-2-yl-spiro[7,8-dihydro-4aH-1,2,4-benzotrioxine-3,4'-cyclohexane]-1'-yl)-N'-(7-chloranylquinolin-4-yl)butane-1,4-diamine Openeye Name: N'-(7-chloro-4-quinolyl)-N-(6-isopropyl-8a-methyl-spiro[7,8-dihydro-4aH-1,2,4-benzotrioxine-3,4'-cyclohexane]-1'-yl)butane-1,4-diamine CAS Name: N-(8a-methyl-6-propan-2-yl-1'-spiro[7,8-dihydro-4aH-1,2,4-benzotrioxin-3,4'-cyclohexane]yl)-N'-(7-chloro-4-quinolinyl)butane-1,4-diamine IUPAC Name: N-(8a-methyl-6-propan-2-ylspiro[7,8-dihydro-4aH-1,2,4-benzotrioxine-3,4'-cyclohexane]-1'-yl)-N'-(7-chloroquinolin-4-yl)butane-1,4-diamine Traditional Name: (7-chloro-4-quinolyl)-[4-[(6-isopropyl-8a-methyl-spiro[7,8-dihydro-4aH-1,2,4-benzotrioxin-3,4'-cyclohexane]-1'-yl)amino]butyl]amine Formula: C29H40ClN3O3 MolecularWeight: 514.0992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2C(CC1)(OOC3(O2)CCC(CC3)NCCCCNC4=C5C=CC(=CC5=NC=C4)Cl)C

Isomeric SMILES

CC(C)C1=CC2C(CC1)(OOC3(O2)CCC(CC3)NCCCCNC4=C5C=CC(=CC5=NC=C4)Cl)C

InChI

InChI=1S/C29H40ClN3O3/c1-20(2)21-8-12-28(3)27(18-21)34-29(36-35-28)13-9-23(10-14-29)31-15-4-5-16-32-25-11-17-33-26-19-22(30)6-7-24(25)26/h6-7,11,17-20,23,27,31H,4-5,8-10,12-16H2,1-3H3,(H,32,33)