N-[1-[4-[(4-iodophenyl)-(3-methylbut-2-enyl)amino]piperidin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]azepane-1-carboxamide

Systemtic Name: N-[1-[4-[(4-iodophenyl)-(3-methylbut-2-enyl)amino]piperidin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]azepane-1-carboxamide Openeye Name: N-[1-[4-[4-iodo-N-(3-methylbut-2-enyl)anilino]piperidine-1-carbonyl]-3-methyl-butyl]azepane-1-carboxamide CAS Name: N-[1-[4-[4-iodo-N-(3-methylbut-2-enyl)anilino]-1-piperidinyl]-4-methyl-1-oxopentan-2-yl]-1-azepanecarboxamide IUPAC Name: N-[1-[4-[4-iodo-N-(3-methylbut-2-enyl)anilino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]azepane-1-carboxamide Traditional Name: N-[1-[4-[4-iodo-N-(3-methylbut-2-enyl)anilino]piperidine-1-carbonyl]-3-methyl-butyl]azepane-1-carboxamide Formula: C29H45IN4O2 MolecularWeight: 608.59767

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCC(CC1)N(CC=C(C)C)C2=CC=C(C=C2)I)NC(=O)N3CCCCCC3

Isomeric SMILES

CC(C)CC(C(=O)N1CCC(CC1)N(CC=C(C)C)C2=CC=C(C=C2)I)NC(=O)N3CCCCCC3

InChI

InChI=1S/C29H45IN4O2/c1-22(2)13-20-34(25-11-9-24(30)10-12-25)26-14-18-32(19-15-26)28(35)27(21-23(3)4)31-29(36)33-16-7-5-6-8-17-33/h9-13,23,26-27H,5-8,14-21H2,1-4H3,(H,31,36)