[1-(1-adamantylcarbonyl)pyrrolidin-2-yl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [1-(1-adamantylcarbonyl)pyrrolidin-2-yl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-(4-benzyl-1,4-diazepan-1-yl)methanone CAS Name: [1-[1-adamantyl(oxo)methyl]-2-pyrrolidinyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-(4-benzyl-1,4-diazepan-1-yl)methanone Traditional Name: [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-(4-benzyl-1,4-diazepan-1-yl)methanone Formula: C28H39N3O2 MolecularWeight: 449.62816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)N5CCCN(CC5)CC6=CC=CC=C6

Isomeric SMILES

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)N5CCCN(CC5)CC6=CC=CC=C6

InChI

InChI=1S/C28H39N3O2/c32-26(30-10-5-9-29(12-13-30)20-21-6-2-1-3-7-21)25-8-4-11-31(25)27(33)28-17-22-14-23(18-28)16-24(15-22)19-28/h1-3,6-7,22-25H,4-5,8-20H2