2-[(4-bromanyl-5-tert-butyl-3H-azepin-2-yl)oxy]-4-tert-butyl-7-methoxy-2H-azepine

Systemtic Name: 2-[(4-bromanyl-5-tert-butyl-3H-azepin-2-yl)oxy]-4-tert-butyl-7-methoxy-2H-azepine Openeye Name: 2-[(4-bromo-5-tert-butyl-3H-azepin-2-yl)oxy]-4-tert-butyl-7-methoxy-2H-azepine CAS Name: 2-[(4-bromo-5-tert-butyl-3H-azepin-2-yl)oxy]-4-tert-butyl-7-methoxy-2H-azepine IUPAC Name: 2-[(4-bromo-5-tert-butyl-3H-azepin-2-yl)oxy]-4-tert-butyl-7-methoxy-2H-azepine Traditional Name: 2-[(4-bromo-5-tert-butyl-3H-azepin-2-yl)oxy]-4-tert-butyl-7-methoxy-2H-azepine Formula: C21H29BrN2O2 MolecularWeight: 421.37116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(N=C(C=C1)OC)OC2=NC=CC(=C(C2)Br)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(N=C(C=C1)OC)OC2=NC=CC(=C(C2)Br)C(C)(C)C

InChI

InChI=1S/C21H29BrN2O2/c1-20(2,3)14-8-9-17(25-7)24-19(12-14)26-18-13-16(22)15(10-11-23-18)21(4,5)6/h8-12,19H,13H2,1-7H3