N-[[(2S)-1-(1-adamantyl)pyrrolidin-2-yl]methyl]-4-bromanyl-1-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-[[(2S)-1-(1-adamantyl)pyrrolidin-2-yl]methyl]-4-bromanyl-1-methoxy-naphthalene-2-carboxamide Openeye Name: N-[[(2S)-1-(1-adamantyl)pyrrolidin-2-yl]methyl]-4-bromo-1-methoxy-naphthalene-2-carboxamide CAS Name: N-[[(2S)-1-(1-adamantyl)-2-pyrrolidinyl]methyl]-4-bromo-1-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[[(2S)-1-(1-adamantyl)pyrrolidin-2-yl]methyl]-4-bromo-1-methoxynaphthalene-2-carboxamide Traditional Name: N-[[(2S)-1-(1-adamantyl)pyrrolidin-2-yl]methyl]-4-bromo-1-methoxy-2-naphthamide Formula: C27H33BrN2O2 MolecularWeight: 497.46712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C2=CC=CC=C21)Br)C(=O)NCC3CCCN3C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C2=CC=CC=C21)Br)C(=O)NC[C@@H]3CCCN3C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H33BrN2O2/c1-32-25-22-7-3-2-6-21(22)24(28)12-23(25)26(31)29-16-20-5-4-8-30(20)27-13-17-9-18(14-27)11-19(10-17)15-27/h2-3,6-7,12,17-20H,4-5,8-11,13-16H2,1H3,(H,29,31)/t17?,18?,19?,20-,27?/m0/s1