N-(1-adamantylmethyl)-5-(3-azanylpyrrolidin-1-yl)-2-chloranyl-benzamide hydrochloride

Systemtic Name: N-(1-adamantylmethyl)-5-(3-azanylpyrrolidin-1-yl)-2-chloranyl-benzamide hydrochloride Openeye Name: N-(1-adamantylmethyl)-5-(3-aminopyrrolidin-1-yl)-2-chloro-benzamide hydrochloride CAS Name: N-(1-adamantylmethyl)-5-(3-amino-1-pyrrolidinyl)-2-chlorobenzamide hydrochloride IUPAC Name: N-(1-adamantylmethyl)-5-(3-aminopyrrolidin-1-yl)-2-chlorobenzamide hydrochloride Traditional Name: N-(1-adamantylmethyl)-5-(3-aminopyrrolidino)-2-chloro-benzamide hydrochloride Formula: C22H31Cl2N3O MolecularWeight: 424.40704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N)C2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4.Cl

Isomeric SMILES

C1CN(CC1N)C2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4.Cl

InChI

InChI=1S/C22H30ClN3O.ClH/c23-20-2-1-18(26-4-3-17(24)12-26)8-19(20)21(27)25-13-22-9-14-5-15(10-22)7-16(6-14)11-22;/h1-2,8,14-17H,3-7,9-13,24H2,(H,25,27);1H