4-(1-aminocarbonylpiperidin-4-yl)-3-cyclohexyl-piperidine-1-carboxamide; 2-azanylethanoyl 1-azanylisoquinoline-7-carboxylate

Systemtic Name: 4-(1-aminocarbonylpiperidin-4-yl)-3-cyclohexyl-piperidine-1-carboxamide; 2-azanylethanoyl 1-azanylisoquinoline-7-carboxylate Openeye Name: (2-aminoacetyl) 1-aminoisoquinoline-7-carboxylate; 4-(1-carbamoyl-4-piperidyl)-3-cyclohexyl-piperidine-1-carboxamide CAS Name: 1-amino-7-isoquinolinecarboxylic acid (2-amino-1-oxoethyl) ester; 4-(1-carbamoyl-4-piperidinyl)-3-cyclohexyl-1-piperidinecarboxamide IUPAC Name: (2-aminoacetyl) 1-aminoisoquinoline-7-carboxylate; 4-(1-carbamoylpiperidin-4-yl)-3-cyclohexylpiperidine-1-carboxamide Traditional Name: 1-aminoisoquinoline-7-carboxylic acid glycyl ester; 4-(1-carbamoyl-4-piperidyl)-3-cyclohexyl-piperidine-1-carboxamide Formula: C30H43N7O5 MolecularWeight: 581.70632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CN(CCC2C3CCN(CC3)C(=O)N)C(=O)N.C1=CC(=CC2=C1C=CN=C2N)C(=O)OC(=O)CN

Isomeric SMILES

C1CCC(CC1)C2CN(CCC2C3CCN(CC3)C(=O)N)C(=O)N.C1=CC(=CC2=C1C=CN=C2N)C(=O)OC(=O)CN

InChI

InChI=1S/C18H32N4O2.C12H11N3O3/c19-17(23)21-9-6-14(7-10-21)15-8-11-22(18(20)24)12-16(15)13-4-2-1-3-5-13;13-6-10(16)18-12(17)8-2-1-7-3-4-15-11(14)9(7)5-8/h13-16H,1-12H2,(H2,19,23)(H2,20,24);1-5H,6,13H2,(H2,14,15)