1-[[tert-butyl-(1-isocyanocyclohexyl)oxy-amino]-(3-ethanoyl-4-methyl-7-propan-2-yl-azulen-1-yl)methyl]cyclohexane-1-carbonitrile

Systemtic Name: 1-[[tert-butyl-(1-isocyanocyclohexyl)oxy-amino]-(3-ethanoyl-4-methyl-7-propan-2-yl-azulen-1-yl)methyl]cyclohexane-1-carbonitrile Openeye Name: 1-[(3-acetyl-7-isopropyl-4-methyl-azulen-1-yl)-[tert-butyl-(1-isocyanocyclohexoxy)amino]methyl]cyclohexanecarbonitrile CAS Name: 1-[(3-acetyl-4-methyl-7-propan-2-yl-1-azulenyl)-[tert-butyl-(1-isocyanocyclohexyl)oxyamino]methyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-[(3-acetyl-4-methyl-7-propan-2-ylazulen-1-yl)-[tert-butyl-(1-isocyanocyclohexyl)oxyamino]methyl]cyclohexane-1-carbonitrile Traditional Name: 1-[(3-acetyl-7-isopropyl-4-methyl-azulen-1-yl)-[tert-butyl-(1-isocyanocyclohexoxy)amino]methyl]cyclohexanecarbonitrile Formula: C35H47N3O2 MolecularWeight: 541.76658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C(C3(CCCCC3)C#N)N(C(C)(C)C)OC4(CCCCC4)[N+]#[C-])C(=O)C

Isomeric SMILES

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C(C3(CCCCC3)C#N)N(C(C)(C)C)OC4(CCCCC4)[N+]#[C-])C(=O)C

InChI

InChI=1S/C35H47N3O2/c1-24(2)27-16-15-25(3)31-28(26(4)39)22-30(29(31)21-27)32(34(23-36)17-11-9-12-18-34)38(33(5,6)7)40-35(37-8)19-13-10-14-20-35/h15-16,21-22,24,32H,9-14,17-20H2,1-7H3