4-[bis[4-azanyl-3,5-di(propan-2-yl)phenyl]methylidene]-2-iodanyl-6-methoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[bis[4-azanyl-3,5-di(propan-2-yl)phenyl]methylidene]-2-iodanyl-6-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[bis(4-amino-3,5-diisopropyl-phenyl)methylene]-2-iodo-6-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[bis[4-amino-3,5-di(propan-2-yl)phenyl]methylidene]-2-iodo-6-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[bis[4-amino-3,5-di(propan-2-yl)phenyl]methylidene]-2-iodo-6-methoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[bis(4-amino-3,5-diisopropyl-phenyl)methylene]-2-iodo-6-methoxy-cyclohexa-2,5-dien-1-one Formula: C32H41IN2O2 MolecularWeight: 612.58461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1N)C(C)C)C(=C2C=C(C(=O)C(=C2)I)OC)C3=CC(=C(C(=C3)C(C)C)N)C(C)C

Isomeric SMILES

CC(C)C1=CC(=CC(=C1N)C(C)C)C(=C2C=C(C(=O)C(=C2)I)OC)C3=CC(=C(C(=C3)C(C)C)N)C(C)C

InChI

InChI=1S/C32H41IN2O2/c1-16(2)23-10-20(11-24(17(3)4)30(23)34)29(22-14-27(33)32(36)28(15-22)37-9)21-12-25(18(5)6)31(35)26(13-21)19(7)8/h10-19H,34-35H2,1-9H3