tert-butyl 4-[2,2-diethoxyethyl-[(7-ethyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)carbamoyl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2,2-diethoxyethyl-[(7-ethyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)carbamoyl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2,2-diethoxyethyl-[(7-ethyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)carbamoyl]amino]piperidine-1-carboxylate CAS Name: 4-[2,2-diethoxyethyl-[[(7-ethyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)amino]-oxomethyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2,2-diethoxyethyl-[(7-ethyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)carbamoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[2,2-diethoxyethyl-[(7-ethyl-5,6,8,9-tetrahydropyrazin[2,3-d]azepin-3-yl)carbamoyl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H46N6O5 MolecularWeight: 534.69134

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=NC=C(N=C2CC1)NC(=O)N(CC(OCC)OCC)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCN1CCC2=NC=C(N=C2CC1)NC(=O)N(CC(OCC)OCC)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H46N6O5/c1-7-31-14-12-21-22(13-15-31)29-23(18-28-21)30-25(34)33(19-24(36-8-2)37-9-3)20-10-16-32(17-11-20)26(35)38-27(4,5)6/h18,20,24H,7-17,19H2,1-6H3,(H,29,30,34)