3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-(4-quinazolin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-(4-quinazolin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-(4-quinazolin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-[4-(2-quinazolinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-(4-quinazolin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-(4-quinazolin-2-ylpiperazino)propan-1-one Formula: C30H32N5O2+ MolecularWeight: 494.60738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3C=N2)C(=O)CC[NH+]4CC(OC5=CC=CC=C5C4)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3C=N2)C(=O)CC[NH+]4C[C@@H](OC5=CC=CC=C5C4)C6=CC=CC=C6

InChI

InChI=1S/C30H31N5O2/c36-29(34-16-18-35(19-17-34)30-31-20-24-10-4-6-12-26(24)32-30)14-15-33-21-25-11-5-7-13-27(25)37-28(22-33)23-8-2-1-3-9-23/h1-13,20,28H,14-19,21-22H2/p+1/t28-/m1/s1